SCHEMBL411329

SCHEMBL411329

Oc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.69
ESR2 Q92731 4/20 0.69
BCL2L1 Q07817 2/20 0.55
MMP3 P08254 2/20 0.55
ABL1 P00519 1/20 0.52
ABCB1 P08183 1/20 0.52
BCR P11274 1/20 0.52
KIF11 P52732 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ATM Q13315 1/20 0.52
BAD Q92934 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL9468496 1.00 ESR1 (0.69) ESR1ESR2BCL2L1MMP3ABL1
SCHEMBL18867938 0.90
SCHEMBL78213 0.90
SCHEMBL8856015 0.87
SCHEMBL11578634 0.87
Iodide SCHEMBL28852430 0.87
SCHEMBL12503774 0.87
Hydrochloric Acid SCHEMBL16337920 0.87 CA1 (0.57) ESR1ESR2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL10901713 0.87
SCHEMBL27564121 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118752661-B Rubber release agent for tire and preparation method thereof 山东万达宝通轮胎有限公司 2024-12-31 CN claimed
CN-118752661-A Rubber release agent for tire and preparation method thereof 山东万达宝通轮胎有限公司 2024-10-11 CN claimed
CN-108641077-B Synthetic method of polyphenyl ether 广东省石油与精细化工研究院 2020-07-28 CN claimed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN claimed
US-9161542-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-10-20 US claimed
WO-2012162595-A2 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 WO claimed
US-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 US claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
EP-0875793-B1 Toner for developing electrostatic images CANON KK (JP) 2001-10-10 EP claimed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
US-5972554-A COMPRISING A PHENOL-ALDEHYDE CONDENSATE RESIN, EXHIBIT A GOOD DISPERSIBILITY IN THE BINDER RESIN AND A GOOD CHARGE CONTROL PERFORMANCE CANON KABUSHIKI KAISHA (JP) 1999-10-26 US claimed
EP-0875793-A2 Toner for developing electrostatic images CANON KABUSHIKI KAISHA (JP) 1998-11-04 EP claimed
JP-4173756-A None JP disclosed
JP-59059649-A None JP disclosed
JP-59170043-A None JP disclosed
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 US disclosed
US-4031106-A Synthesis of aromatic amines by reaction of aromatic compounds with ammonia E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-21 US disclosed
US-4001260-A NICKEL-NICKEL OXIDE-ZIRCONIUM OXIDE AMINATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 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 (2 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-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS PRDX6, PRDX2, PRDX1 ESR1 4806/4885ESR2 4273/4885BCL2L1 1380/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO ESR1 3501/4885ESR2 2182/4885BCL2L1 2941/4885

“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.