SCHEMBL1142809

SCHEMBL1142809

O=C(O)C(F)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.55
ESR1 P03372 8/20 0.44
ESR2 Q92731 7/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
TYR P14679 2/20 0.42
CA4 P22748 2/20 0.42
CA5A P35218 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
DRD1 P21728 2/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL29009777 0.83 SRC (0.38) SRCLMNACYP2D6
SCHEMBL9157493 0.81 HDAC3 (0.47) CA1CA2ALDH1A1LMNAHPGD
SCHEMBL241909 0.80 SRC (0.56) SRCTDP1CYP2C19LMNACES2
SCHEMBL28232530 0.80 SRC (0.56) SRCTDP1CYP2C19LMNACES2
SCHEMBL28232476 0.80 SRC (0.56) SRCTDP1CYP2C19LMNACES2
SCHEMBL2893282 0.79 TPMT (0.44) SRCCA1CA2CYP2D6
SCHEMBL2399005 0.79 KEAP1 (0.53) ALDH1A1CYP2C19LMNACES2SRD5A2
SCHEMBL11405448 0.79 CYP2C9 (0.46) KMT2ATDP1CYP3A4CYP2C9CYP2C19
SCHEMBL11254414 0.79 POLB (0.41) SRCCA3CA14CA6ALDH1A1
SCHEMBL28140063 0.79 CYP2C9 (0.48) CA12CA1CA2TYRCA9

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
EP-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 EP disclosed
CN-119053587-A 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents 法国施维雅药厂 2024-11-29 CN disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed
CN-104231070-B Glucose-dependent-insulinotropic polypeptide terminal modified N(GIP)Analog 益普生制药股份有限公司 2017-09-01 CN disclosed
CN-104031140-B Truncated analogues of glucose-dependent insulinotropic polypeptide 益普生制药股份有限公司 2017-04-12 CN disclosed
CN-105601905-A Preparation method and application of polymer additive JIANGSU SUBOTE NEW MAT CO LTD 2016-05-25 CN disclosed
CN-103221437-B Polymer compound and resist protective film composition for liquid immersion exposure process containing same DONGJIN SEMICHEM CO.,LTD. (KR) 2016-02-17 CN disclosed
CN-105164586-A Composition for forming resist protective film for lithography and method for forming pattern of semiconductor element using same DONGJIN SEMICHEM CO LTD 2015-12-16 CN disclosed
CN-104829706-A Analogues of glucose-dependent insulinotropic polypeptide IPSEN PHARMA SAS 2015-08-12 CN disclosed
CN-102171244-B Analogues of glucose-dependent insulinotropic peptide IPSEN PHARMA SAS 2015-05-13 CN disclosed
CN-104231070-A ANALOGUES OF GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) MODIFIED AT N-TERMINAL IPSEN PHARMA SAS 2014-12-24 CN disclosed
CN-104086530-A 4-substituted quinoline compounds and applications thereof UNIV SHENYANG PHARMACEUTICAL 2014-10-08 CN disclosed
CN-104031140-A Truncated analogues of glucose-dependent insulinotropic polypeptide IPSEN PHARMA SAS 2014-09-10 CN disclosed
CN-103641906-A Glucose-dependent insulinotropic polypeptide analogues IPSEN PHARMA SAS 2014-03-19 CN disclosed
US-8303844-B2 Benzo[f]chrome any pyrano[3,2-f]chrome derivatives for use in liquid crystal media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-06 US disclosed
US-20110043746-A1 BENZO[F]CHROME ANY PYRANO[3,2-F]CHROME DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-24 US disclosed
CN-1898222-A Substituted aryl cycloalkanol derivatives and methods of their use WYETH CORP (US) 2007-01-17 CN disclosed
CN-1897950-A Fused aryl and heteroaryl derivatives and methods of use thereof WYETH CORP (US) 2007-01-17 CN disclosed
CN-1882524-A 4- ((phenoxyalkyl) thio) -phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA NV (BE) 2006-12-20 CN 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 (1 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-20110043746-A1 BENZO[F]CHROME ANY PYRANO[3,2-F]CHROME DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA CHRM1, F12, CTRB2 SRC 1529/4885ESR1 360/4885ESR2 589/4885

“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.