SCHEMBL6932655

SCHEMBL6932655

CC(Br)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
PTGS2 P35354 3/20 0.41
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 3/20 0.39
ESR2 Q92731 1/20 0.39
ATM Q13315 1/20 0.38
METTL3 Q86U44 1/20 0.38

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
SCHEMBL28858511 0.78 CES2 (0.44) ESR1CES2CES1TSHRDAO
SCHEMBL16933873 0.78 CES2 (0.44) ESR1CES2CES1TSHRDAO
SCHEMBL19243243 0.78 ESR1 (0.48) ESR1CES2CES1PTGS2TSHR
SCHEMBL28481713 0.77 ESR1 (0.58) ESR1CES2CES1PTGS2TSHR
SCHEMBL10678263 0.77
SCHEMBL15835872 0.77 CES1 (0.43) ESR1CES2CES1PTGS2TSHR
SCHEMBL5988427 0.77 ESR1 (0.52) ESR1CES2CES1PTGS2TSHR
Methyl Alcohol SCHEMBL28843164 0.76 ESR1 (0.50) ESR1CES2CES1PTGS2TSHR
SCHEMBL67982 0.75 CES1 (0.53) ESR1CES2CES1PTGS2TSHR
Benzene SCHEMBL28326432 0.75 CES1 (0.53) ESR1CES2CES1PTGS2TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP disclosed
US-4122256-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4052433-A INTERMEDIATES FOR BENZOFURANS HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-3994879-A CONDENSING AZOMETHINES, OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-30 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-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 ESR1 3506/4885CES2 3946/4885CES1 3736/4885

“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.