SCHEMBL696965

SCHEMBL696965

CC(=O)c1cc(C)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
CSNK2A1 P68400 1/20 0.45
CYP2A6 P11509 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRB2 P47870 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CLCN2 P51788 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL1489033 0.83 RAB9A (0.47) RAB9AKMT2AKDM4EMEN1LMNA
SCHEMBL306765 0.83 ALDH1A1 (0.63) RAB9AKMT2AKDM4EMEN1LMNA
SCHEMBL845424 0.83 GABRA1 (0.53) RAB9AKMT2AMEN1ALDH1A1TP53
SCHEMBL16954239 0.82 GABRA1 (0.43) RAB9AKMT2AKDM4EMEN1LMNA
SCHEMBL1786128 0.81 LMNA (0.50) RAB9AKMT2AKDM4EMEN1LMNA
SCHEMBL5223645 0.81 RAB9A (0.46) RAB9AKMT2AKDM4EMEN1LMNA
SCHEMBL363918 0.80 ALDH1A1 (0.65) RAB9AKDM4ELMNAHSD17B10ALDH1A1
SCHEMBL29518159 0.80 ALDH1A1 (0.65) RAB9AKDM4ELMNAHSD17B10ALDH1A1
SCHEMBL12986352 0.79 CSNK2A1 (0.50) RAB9AKMT2AKDM4EMEN1CSNK2A1
Hydrochloric Acid SCHEMBL28752341 0.79 LMNA (0.49) RAB9AKMT2AKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2023-09-19 US disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
WO-2020063760-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-04-02 WO disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 US disclosed
US-9522145-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-20 US disclosed
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-26 US disclosed
US-9216969-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-12-22 US disclosed
US-6825198-B2 FOR THERAPY OF SEXUAL DISORDER PFIZER INC 2004-11-30 US disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
US-5447954-A Antilipidemic agents SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-05 US disclosed
EP-0639187-A1 PHENYLDERIVATE AS INHIBITORS OF ATP CITRATE LYASE SMITHKLINE BEECHAM PLC (GB) 1995-02-22 EP disclosed
WO-1993022304-A1 PHENYLDERIVATE AS INHIBITORS OF ATP CITRATE LYASE SMITHKLINE BEECHAM PLC (GB) 1993-11-11 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 (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-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors CDK1, CDKN1A, CDKL1 RAB9A 3684/4885KMT2A 1487/4885KDM4E 1229/4885
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2101/4885KMT2A 4241/4885KDM4E 4156/4885
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2101/4885KMT2A 4241/4885KDM4E 4156/4885
US-20170001960-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 RAB9A 3409/4885KMT2A 2180/4885KDM4E 3386/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 RAB9A 3409/4885KMT2A 2180/4885KDM4E 3386/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A RAB9A 2632/4885KMT2A 3519/4885KDM4E 4285/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD RAB9A 567/4885KMT2A 2615/4885KDM4E 1609/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A RAB9A 2632/4885KMT2A 3519/4885KDM4E 4285/4885

“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.