SCHEMBL6935686

SCHEMBL6935686

CC(C)=CC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.45
LMNA P02545 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NOS2 P35228 1/20 0.38
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL9637224 0.89 LMNA (0.43) TRPA1LMNAALDH1A1
SCHEMBL1305172 0.80 TRPA1 (0.45) TRPA1LMNAADRA2AADRA2CHIF1A
SCHEMBL9806392 0.79 TRPA1 (0.41) TRPA1LMNAADRA2CCYP2D6ALDH1A1
SCHEMBL28806587 0.79 TRPA1 (0.41) TRPA1LMNAADRA2CCYP2D6ALDH1A1
SCHEMBL4641824 0.78 TRPA1 (0.44) TRPA1LMNAADRA2AADRA2CHIF1A
SCHEMBL9222442 0.78 TRPA1 (0.64) TRPA1LMNAADRA2AADRA2CHIF1A
SCHEMBL1334629 0.78 AKR1C3 (0.50) TRPA1LMNAHPGDCYP2D6SRC
SCHEMBL28233586 0.78 TRPA1 (0.40) TRPA1LMNAKDM4EALDH1A1
SCHEMBL1334624 0.78 AKR1C3 (0.50) TRPA1LMNAHPGDCYP2D6SRC
SCHEMBL563813 0.76 LMNA (0.45) TRPA1LMNAADRA2AADRA2CHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164106-A Method for producing polymer latex 日本瑞翁株式会社 2020-05-15 CN disclosed
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

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 TRPA1 1840/4885LMNA 4620/4885ADRA2A 1480/4885

“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.