SCHEMBL1044812

SCHEMBL1044812

O=C(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.83
▸ CES2 O00748 2/20 0.69
▸ CNR2 P34972 4/20 0.65
▸ ATM Q13315 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ VNN1 O95497 3/20 0.59
▸ MAOB P27338 1/20 0.59
▸ KCNK3 O14649 1/20 0.59
▸ CNR1 P21554 2/20 0.57
▸ KAT6A Q92794 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL1237189 0.94 SRD5A2 (0.79) SRD5A2CES2CNR2LMNAVNN1
SCHEMBL2941622 0.91 SRD5A2 (0.81) SRD5A2CES2CNR2LMNAVNN1
Propene SCHEMBL28144333 0.90 SRD5A2 (0.69) SRD5A2CES2CNR2ATMTDP1
SCHEMBL7486845 0.87 SRD5A2 (0.76) SRD5A2CES2CNR2LMNACNR1
SCHEMBL31081586 0.86 CNR2 (0.66) SRD5A2CES2CNR2ATMTDP1
SCHEMBL3660211 0.86 CNR2 (0.71) SRD5A2CES2CNR2ATMTDP1
SCHEMBL4979512 0.86 SRD5A2 (0.73) SRD5A2CES2CNR2LMNAVNN1
SCHEMBL5687867 0.86 SRD5A2 (0.69) SRD5A2CES2CNR2LMNAVNN1
SCHEMBL28565479 0.86 SRD5A2 (0.73) SRD5A2CES2CNR2VNN1CNR1
SCHEMBL17894214 0.86 SRD5A2 (0.73) SRD5A2CES2CNR2LMNAVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033451-A A kind of metal whisker composite and preparation method thereof 安徽利锋机械科技有限公司 2017-08-11 — — CN claimed
CN-106832565-A A kind of silane-modified metal whisker composite and preparation method thereof 安徽利锋机械科技有限公司 2017-06-13 — — CN claimed
CN-106750932-A A kind of anti-oxidant metal whisker composite and preparation method thereof 安徽利锋机械科技有限公司 2017-05-31 — — CN claimed
CN-106750933-A A kind of heat resistant type metal whisker composite and preparation method thereof 安徽利锋机械科技有限公司 2017-05-31 — — CN claimed
CN-106750935-A A kind of environmentally friendly metal whisker composite and preparation method thereof 安徽利锋机械科技有限公司 2017-05-31 — — CN claimed
CN-106750934-A A kind of hydrophobic type metal whisker composite and preparation method thereof 安徽利锋机械科技有限公司 2017-05-31 — — CN claimed
CN-106589600-A Flame-retardant whisker composite material and preparation method thereof 安徽利锋机械科技有限公司 2017-04-26 — — CN claimed
CN-106589601-A Resin-based crystal whisker composite material and preparation method thereof 安徽利锋机械科技有限公司 2017-04-26 — — CN claimed
CN-106566202-A Thermosetting resin material for automotive relay shell and preparing method of thermosetting resin material 宁波永的电子科技有限公司 2017-04-19 — — CN claimed
CN-106566203-A Composite material used for shell of automotive relay and preparation method thereof 宁波永的电子科技有限公司 2017-04-19 — — CN claimed
CN-101863805-A (S)-N-(2(3-(trifluoromethyl) phenyl) methyl)-tertiary butyl-2-sulfinamide and synthesis method thereof UNIV SHANGHAI 2010-10-20 — — CN claimed
CN-112759173-B Pretreatment method of trifloxystrobin production wastewater 湖南海利化工股份有限公司 2023-04-18 — — CN disclosed
CN-112759173-A Pretreatment method of trifloxystrobin production wastewater 湖南海利化工股份有限公司 2021-05-07 — — CN disclosed
CN-112608222-A Method for preparing aldehyde ketone compound by olefin oxidation 三峡大学 2021-04-06 — — CN disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 — — US disclosed
EP-0028901-A1 Antidepressant derivatives of trans-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine and pharmaceutical compositions thereof PFIZER INC. (US) 1981-05-20 — — EP disclosed
US-4175945-A PLANT GROWTH REGULATORS FOR TABACCO ROHM AND HAAS COMPANY (US) 1979-11-27 — — US disclosed
US-4152441-A Analgesic imidazolemethanols GIST-BROCADES N.V. (NL) 1979-05-01 — — US disclosed
US-4120687-A CONTROLLING GROWTH OF TOBACCO SUCKERS MEISINGER ROBERT H 1978-10-17 — — US disclosed
US-4113972-A ANTIDEPRESSANTS BEECHAM GROUP LIMITED (GB) 1978-09-12 — — 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 (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-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 SRD5A2 4630/4885CES2 3748/4885CNR2 2102/4885

“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.

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