SCHEMBL8305004

SCHEMBL8305004

O=Cc1cccc(OCc2ccccc2)c1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.58
CDK1 P06493 1/20 0.58
CDK4 P11802 1/20 0.58
CCNB1 P14635 1/20 0.58
CCND1 P24385 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
PTGER1 P34995 2/20 0.49
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
MAPK14 Q16539 1/20 0.48
SRC P12931 1/20 0.48

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
SCHEMBL13035481 0.88 CCNB2 (0.46) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3445741 0.86 ALDH1A1 (0.49) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3446508 0.86 ALDH1A1 (0.49) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL29537861 0.84 CCNB2 (0.72) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL433401 0.84 CCNB2 (0.72) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL34465996 0.84 CCNB2 (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3446415 0.84 ALDH1A1 (0.54) L3MBTL1MAPTTDP1SMN1; SMN2ALDH1A1
Fluoride SCHEMBL27920182 0.83 CCNB2 (0.70) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL21953183 0.82 TDP1 (0.64) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1050281 0.82 CCNB2 (0.59) CCNB2CDK1CDK4CCNB1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074859-B Cyclohexylethyl substituted diaza-and triaza-tricyclics as indoleamine-2, 3-dioxygenase (IDO) antagonists for the treatment of cancer 默克专利有限公司 2021-08-06 CN disclosed
CN-108137497-B Bicyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-15 CN disclosed
EP-3313817-B1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-09-16 EP disclosed
EP-3138831-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2020-07-08 EP disclosed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP disclosed
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
US-10618909-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-04-14 US disclosed
US-20190248805-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-08-15 US disclosed
EP-3189054-B1 (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
EP-3189054-B1 (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
US-20110009371-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
US-7807842-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-10-05 US disclosed
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 US disclosed
EP-0758312-B1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS LILLY CO ELI (US) 1999-12-22 EP disclosed
EP-0758312-A4 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS LILLY CO ELI (US) 1997-09-10 EP disclosed
EP-0758312-A1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1997-02-19 EP disclosed
US-5583221-A ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS, VIRICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1996-12-10 US disclosed
WO-1996005729-A1 VICINAL-SUBSTITUTED CARBOCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1996-02-29 WO disclosed
WO-1995030640-A1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1995-11-16 WO disclosed
US-5432198-A Enzyme inhibitors SPHINX PHARMACEUTICALS CORPORATION (US) 1995-07-11 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 (5 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-10618909-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, CASP3, CASP4 CCNB2 84/4885CDK1 135/4885CDK4 87/4885
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF CCNE1, CCNE2, CCNT2 CCNB2 44/4885CDK1 21/4885CDK4 18/4885
US-20110009371-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC CCNB2 1419/4885CDK1 983/4885CDK4 640/4885
US-20190248805-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP3, CASP4 CCNB2 84/4885CDK1 135/4885CDK4 87/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC CCNB2 1419/4885CDK1 983/4885CDK4 640/4885

“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.