SCHEMBL418112

SCHEMBL418112

CCc1ccc(C(C)(C)C)o1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
G6PC1 P35575 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13891783 0.82 ALOX5 (0.31) ALOX5PTGS1PTGS2CHRM2CHRM4
SCHEMBL1755746 0.82 MITF (0.32) MITF
SCHEMBL1753926 0.79 MITF (0.33) MITF
SCHEMBL12338361 0.79 SLC6A4 (0.36) ALOX5PTGS1PTGS2CHRM2CHRM4
SCHEMBL6695496 0.79 CYP2D6 (0.41) MITF
SCHEMBL13274126 0.79 ALOX5 (0.40) MITFALOX5PTGS1PTGS2CHRM2
SCHEMBL10211573 0.77 ALOX5 (0.41) ALOX5MEN1KMT2A
SCHEMBL10211583 0.77 ACHE (0.40)
SCHEMBL13312634 0.77 POLB (0.42) MEN1KMT2A
SCHEMBL45858 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724989-B2 MCT4 inhibitors for treating disease Vettore, LLC (US) 2023-08-15 US disclosed
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20210186953-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2021-06-24 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
US-20190127354-A1 2,4,6,7-TETRASUBSTITUTED QUINOLINE COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2019-05-02 US disclosed
US-10266565-B2 Peptide mimetic ligands of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2019-04-23 US disclosed
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2018-06-14 US disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
US-20170239351-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, a PD-1 Inhibitor, and/or a PD-L1 Inhibitor ACERTA PHARMA BV (NL) 2017-08-24 US disclosed
US-7563774-B2 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. (US) 2009-07-21 US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-7531556-B2 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-11-13 US disclosed
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. 2008-11-06 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
EP-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 EP disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 MITF 217/4885ALOX5 1349/4885PTGS1 1604/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 MITF 3218/4885ALOX5 1552/4885PTGS1 1577/4885
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR MITF 1427/4885ALOX5 689/4885PTGS1 616/4885
US-10266565-B2 Peptide mimetic ligands of polo-like kinase 1 polo box domain and methods of use PLK1, POLK, POLD3 MITF 1406/4885ALOX5 4079/4885PTGS1 3114/4885
US-20170239351-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, a PD-1 Inhibitor, and/or a PD-L1 Inhibitor BTK, JAK1, PDCD1 MITF 2188/4885ALOX5 4069/4885PTGS1 2076/4885
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 MITF 750/4885ALOX5 2098/4885PTGS1 462/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 MITF 4275/4885ALOX5 4320/4885PTGS1 1178/4885
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MITF 1180/4885ALOX5 832/4885PTGS1 1045/4885
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents TUBB6, MAN2B1, TUBB1 MITF 1887/4885ALOX5 3646/4885PTGS1 4287/4885
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 MITF 2942/4885ALOX5 1938/4885PTGS1 665/4885
US-20190127354-A1 2,4,6,7-TETRASUBSTITUTED QUINOLINE COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES DNMT3B, DNMT1, DNMT3A MITF 2403/4885ALOX5 4794/4885PTGS1 2619/4885
US-11724989-B2 MCT4 inhibitors for treating disease SLC16A1, SLC16A3, SLC16A7 MITF 323/4885ALOX5 4167/4885PTGS1 2509/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR MITF 1427/4885ALOX5 689/4885PTGS1 616/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 MITF 3899/4885ALOX5 4821/4885PTGS1 4716/4885
US-20210186953-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A3, SLC34A2, SLC34A1 MITF 3216/4885ALOX5 3637/4885PTGS1 2084/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.