SCHEMBL10242545

SCHEMBL10242545

Cc1ccc(OC(C)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
BCHE P06276 1/20 0.40
CYP3A4 P08684 1/20 0.39
TEAD4 Q15561 1/20 0.39
GPR3 P46089 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA5A P35218 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
AR P10275 1/20 0.37
RELA Q04206 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL13808407 0.88 MAPT (0.45) ACHEBCHEMAPT
SCHEMBL23029518 0.85 ACHE (0.46) ACHETSHRTDP1BCHECYP3A4
SCHEMBL15372299 0.82 MAPT (0.47) TSHRGPR3ALDH1A1POLBMAPT
SCHEMBL91415 0.82 GPR3 (0.53) ACHETSHRTDP1BCHEGPR3
SCHEMBL9325496 0.80 ACHE (0.46) ACHETSHRTDP1BCHECYP3A4
SCHEMBL19477799 0.80 GAA (0.42) ACHETDP1GPR3ALDH1A1
SCHEMBL19477798 0.80 CA1 (0.55) ACHETSHRTDP1CYP3A4CA1
Ammonia Solution, Strong SCHEMBL2444176 0.80 GPR3 (0.52) ACHETSHRBCHEGPR3ALDH1A1
SCHEMBL317934 0.79 ACHE (0.50) ACHETSHRTDP1BCHECYP3A4
SCHEMBL23664134 0.78 ACHE (0.44) ACHETSHRTDP1BCHECYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed
US-20230250066-A1 HERBICIDAL CINNOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-08-10 US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 US disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
US-9421196-B2 Amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 US disclosed
EP-2595965-B1 INSECTICIDAL TRIAZINES AND PYRIMIDINES VESTARON CORP (US) 2016-06-22 EP disclosed
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-26 US disclosed
US-20150328196-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-19 US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-05 US disclosed
WO-2014039714-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-03-13 WO disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 WO disclosed
US-8410310-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-04-02 US disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US disclosed
WO-2012012528-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2012-01-26 WO disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO 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 (7 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 ACHE 2560/4885TSHR 4827/4885TDP1 495/4885
US-20150328196-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS SCN1A, SCN5A, TRPV1 ACHE 436/4885TSHR 2867/4885TDP1 3811/4885
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ACHE 4616/4885TSHR 2723/4885TDP1 4242/4885
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ACHE 4616/4885TSHR 2723/4885TDP1 4242/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL ACHE 4777/4885TSHR 2427/4885TDP1 189/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ACHE 4616/4885TSHR 2723/4885TDP1 4242/4885
US-20230250066-A1 HERBICIDAL CINNOLINE DERIVATIVES DDT, CYP1B1, DERL1 ACHE 60/4885TSHR 3874/4885TDP1 1561/4885

“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.