SCHEMBL232501

SCHEMBL232501

Oc1ccc(I)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
AR P10275 1/20 0.32
PIM1 P11309 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL1512796 0.82 PIM1 (0.41) ESR1ESR2ARPIM1ADRA2A
SCHEMBL1425995 0.82 NOTUM (0.31)
SCHEMBL29987655 0.82 PIM1 (0.41) ESR1ESR2ARPIM1ADRA2A
SCHEMBL29559941 0.82 NOTUM (0.31)
SCHEMBL8265461 0.76
SCHEMBL23118208 0.72 TTR (0.33)
SCHEMBL423158 0.72 AR (0.37) ESR1ESR2AR
SCHEMBL24133089 0.72 TYR (0.32) ADRB2
SCHEMBL155976 0.71 CES2 (0.46) ESR1ESR2ARPIM1
SCHEMBL31070217 0.71 CES2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6100484-A None JP disclosed
US-20260021192-A1 PROTEINS HAVING A COVALENT WARHEAD TOPAZ THERAPEUTICS INC (US) 2026-01-22 US disclosed
CN-113549065-B Pyrrolo [2,3-b ] pyridine derivatives as JAK inhibitors 成都先导药物开发股份有限公司 2022-05-10 CN disclosed
CN-108203584-B Compound, liquid crystal composition and application thereof 江苏和成显示科技有限公司 2021-11-23 CN disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
EP-2925741-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 US disclosed
EP-2576527-B1 HETEROCYCLIC ALKANOL DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2016-01-20 EP disclosed
US-20120004101-A1 Novel Heterocyclic Alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2012-01-05 US disclosed
WO-2011147816-A1 HETEROCYCLIC ALKANOL DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-01 WO disclosed
US-6703082-B1 VARIOUS NAPHTHALENE-CONTAINING LIQUID CRYSTALS DISPLAYTECH, INC. 2004-03-09 US disclosed
US-6413448-B1 ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE DISPLAYTECH, INC. 2002-07-02 US disclosed
WO-2000065801-A9 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH INC (US) 2001-04-12 WO disclosed
WO-2000065801-A1 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH, INC. (US) 2000-11-02 WO disclosed
JP-H06100484-A IODINATED PHENOLIC COMPOUND AND ITS PRODUCTION SANYO CHEM IND LTD 1994-04-12 JP disclosed
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP 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 (3 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-20120004101-A1 Novel Heterocyclic Alkanol Derivatives ERG28, CBR3, MYB ESR1 3579/4885ESR2 3333/4885AR 3051/4885
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 ESR1 518/4885ESR2 525/4885AR 392/4885
US-20260021192-A1 PROTEINS HAVING A COVALENT WARHEAD RIOX2, ORC3, DCLRE1A ESR1 3453/4885ESR2 941/4885AR 2516/4885

“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.