SCHEMBL11985992

SCHEMBL11985992

CC(C)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
TSHR P16473 7/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP3A4 P08684 5/20 0.43
RECQL P46063 3/20 0.43
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 3/20 0.38
AHR P35869 1/20 0.38
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
MAPK1 P28482 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 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
SCHEMBL13220712 0.84 GABRA1 (0.56) ALDH1A1GABRA1GABRB1TSHRHSD17B10
SCHEMBL16405337 0.84 RAPGEF4 (0.42) ALDH1A1GABRA1GABRB1TSHRHSD17B10
SCHEMBL25454119 0.82 CYP3A4 (0.41) ALDH1A1GABRA1GABRB1TSHRHSD17B10
SCHEMBL21937634 0.82 GABRA1 (0.38) ALDH1A1GABRA1GABRB1TSHRHSD17B10
SCHEMBL13748754 0.82 TSHR (0.52) ALDH1A1GABRA1GABRB1TSHRHSD17B10
SCHEMBL12295394 0.79 LMNA (0.38) ALDH1A1GABRA1GABRB1TSHRTP53
SCHEMBL12889907 0.79 EIF4A3 (0.40) ALDH1A1GABRA1GABRB1HSD17B10LMNA
SCHEMBL13747962 0.78 GAA (0.39) ALDH1A1GABRA1GABRB1MAPTSMN1; SMN2
SCHEMBL15082624 0.77 GABRA1 (0.61) ALDH1A1GABRA1GABRB1TSHRTP53
SCHEMBL2421445 0.77 TSHR (0.46) ALDH1A1GABRA1GABRB1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
US-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 US disclosed
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 US disclosed
US-20230157287-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-25 US disclosed
US-20230157287-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-25 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-8247443-B2 Small molecule antagonists of bacterial quorum-sensing receptors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-08-21 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
US-7977120-B2 Fluorescent sensors for cellular amines THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2011-07-12 US disclosed
WO-2010144345-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 WO disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100160423-A1 SMALL MOLECULE ANTAGONISTS OF BACTERIAL QUORUM-SENSING RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-24 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20090011454-A1 Fluorescent Sensors for Cellular Amines The Curators of the University of Missouri Office of Technology and Special Projects (US) 2009-01-08 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 (8 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-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS MYD88, TLR5, TLR8 ALDH1A1 4288/4885GABRA1 2268/4885GABRB1 1950/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 ALDH1A1 382/4885GABRA1 500/4885GABRB1 269/4885
US-20100160423-A1 SMALL MOLECULE ANTAGONISTS OF BACTERIAL QUORUM-SENSING RECEPTORS ANTXR2, CASR, CCKAR ALDH1A1 4729/4885GABRA1 466/4885GABRB1 920/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1560/4885GABRA1 984/4885GABRB1 872/4885
US-20230157287-A1 PESTICIDAL COMPOUNDS PNMT, CAT, DDT ALDH1A1 1917/4885GABRA1 3102/4885GABRB1 2866/4885
US-20090011454-A1 Fluorescent Sensors for Cellular Amines SLC18A1, TAAR5, MAOA ALDH1A1 711/4885GABRA1 3787/4885GABRB1 3917/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ALDH1A1 2185/4885GABRA1 2440/4885GABRB1 2338/4885
US-11911372-B2 Compounds SLC10A1, ABCB11, REN ALDH1A1 744/4885GABRA1 1228/4885GABRB1 1471/4885

“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.