SCHEMBL801586

SCHEMBL801586

COc1c(C)cc(C(C)C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ACHE P22303 1/20 0.37
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
AKR1B1 P15121 3/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL11974264 0.87 ACHE (0.46) ACHEHDAC4HDAC8POLBGAA
SCHEMBL25620274 0.85 ALDH1A1 (0.37) ALDH1A1ACHETAS1R3TAS1R1POLB
SCHEMBL17084605 0.85 ALDH1A1 (0.33) LMNAALDH1A1ACHETRPA1PTGS1
SCHEMBL12190511 0.85 EIF4A3 (0.33) LMNAACHETRPA1PTGS1CACNA1C
SCHEMBL24344715 0.82 CYP1A2 (0.38) LMNAALDH1A1PTGS1AKR1B1ADRA2A
SCHEMBL12062750 0.80 MAPT (0.42) ALDH1A1TRPA1PTGS1CACNA1CTAS1R3
SCHEMBL21667236 0.80 SCN4A (0.33) POLBGAAGFER
SCHEMBL12180582 0.78 LMNA (0.37) LMNATRPA1PTGS1CACNA1CADRA2A
SCHEMBL11210755 0.78 PTGS1 (0.40) LMNAALDH1A1ACHETRPA1PTGS1
SCHEMBL19362838 0.78 ALDH1A1 (0.33) ALDH1A1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787904-B2 Phosphinated (2,6-dimethylphenyl ether) oligomer, preparation method thereof and cured product CPC CORPORATION, TAIWAN (TW) 2023-10-17 US disclosed
US-20230234963-A1 ARYL RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME NOGRA PHARMA LIMITED (IE) 2023-07-27 US disclosed
US-11708316-B2 Hydrogenation of esters to alcohols in the presence of a Ru-PNN complex BASF SE (DE) 2023-07-25 US disclosed
US-11708316-B2 Hydrogenation of esters to alcohols in the presence of a Ru-PNN complex BASF SE (DE) 2023-07-25 US disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-11586060-B2 Optical filter with light source SOLUTIA CANADA INC. (CA) 2023-02-21 US disclosed
WO-2022268525-A1 HYDROGENATION OF ESTERS TO ALCOHOLS IN THE PRESENCE OF AN MN-PNN COMPLEX BASF SE (DE) 2022-12-29 WO disclosed
US-20220380279-A1 HYDROGENATION OF ESTERS TO ALCOHOLS IN THE PRESENCE OF A RU-PNN COMPLEX BASF SE (DE) 2022-12-01 US disclosed
US-20210340321-A1 PHOSPHINATED (2,6-DIMETHYLPHENYL ETHER) OLIGOMER, PREPARATION METHOD THEREOF AND CURED PRODUCT CPC CORPORATION, TAIWAN (TW) 2021-11-04 US disclosed
US-11124524-B2 Diarylethene compounds and uses thereof SOLUTIA CANADA INC. (US) 2021-09-21 US disclosed
WO-2009092565-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2009-07-30 WO disclosed
EP-2083009-A1 Substituted tetrahydroimidazopyridine compounds and their use in medicine Grünenthal GmbH (DE) 2009-07-29 EP disclosed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-7256302-B2 Catalyst ligand with groups on one or both of the benzene rings in a paracyclophane structure; high activity and selectivity for asymmetric reactions, facilitate chiral resolution JOHNSON MATTHEY PLC (GB) 2007-08-14 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 (9 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS LMNA 1992/4885ALDH1A1 2929/4885ACHE 408/4885
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 LMNA 4585/4885ALDH1A1 1756/4885ACHE 30/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B LMNA 2312/4885ALDH1A1 1014/4885ACHE 1217/4885
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR LMNA 1246/4885ALDH1A1 531/4885ACHE 48/4885
US-20220380279-A1 HYDROGENATION OF ESTERS TO ALCOHOLS IN THE PRESENCE OF A RU-PNN COMPLEX ADH1A, PNN, ADH1C LMNA 214/4885ALDH1A1 103/4885ACHE 3296/4885
US-20230234963-A1 ARYL RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME AHR, IL23R, IL2RA LMNA 4543/4885ALDH1A1 774/4885ACHE 4531/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3826/4885ALDH1A1 1985/4885ACHE 4639/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 LMNA 4466/4885ALDH1A1 2289/4885ACHE 4329/4885
US-11708316-B2 Hydrogenation of esters to alcohols in the presence of a Ru-PNN complex ADH1A, PNN, ADH1C LMNA 214/4885ALDH1A1 103/4885ACHE 3296/4885

“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.