SCHEMBL7603976

SCHEMBL7603976

C(=C(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
DAO P14920 1/20 0.35
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 2/20 0.34
MAPK1 P28482 1/20 0.34
CHRM3 P20309 1/20 0.33

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
SCHEMBL14543389 0.81 NFE2L2 (0.41) TDP1ALDH1A1CYP2C19L3MBTL1CYP3A4
SCHEMBL15527332 0.77 KDM1A (0.40) TDP1ALDH1A1CYP3A4CES2CES1
SCHEMBL22882972 0.76 TDP1 (0.33) TDP1ALDH1A1CYP3A4CES2CES1
SCHEMBL14448213 0.73 TDP1 (0.39) TDP1ALDH1A1CYP3A4CES2CES1
SCHEMBL15364521 0.73 ALDH1A1 (0.39) TDP1ALDH1A1CYP19A1CYP11B2CYP1A2
SCHEMBL15527488 0.73 LMNA (0.48) TDP1ALDH1A1NPSR1L3MBTL1CES2
SCHEMBL9185539 0.71 CYP3A4 (0.38) TDP1CYP3A4ESR1ESR2
SCHEMBL9498788 0.71 CYP3A4 (0.38) TDP1CYP3A4ESR1ESR2
SCHEMBL15364825 0.71 RAB9A (0.38) TDP1ALDH1A1CYP19A1CYP11B2CYP1A2
SCHEMBL15364152 0.71 TDP1 (0.50) TDP1CYP19A1CYP11B2CYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868805-B2 Polydienes and diene copolymers having organophosphine functionality BRIDGESTONE CORPORATION (JP) 2018-01-16 US disclosed
EP-2844678-B1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORP (JP) 2017-02-22 EP disclosed
US-9499651-B2 Copolymers of conjugated dienes and vinyl organophosphines prepared by anionic polymerization BRIDGESTONE CORPORATION (JP) 2016-11-22 US disclosed
US-9127109-B2 Preparation of functional polymers phosphorus-containing organometal initiators BRIDGESTONE CORPORATION (JP) 2015-09-08 US disclosed
US-20150126675-A1 Polydienes And Diene Copolymers Having Organophosphine Functionality BRIDGESTONE CORPORATION (JO) 2015-05-07 US disclosed
EP-2844678-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY Bridgestone Corporation (JP) 2015-03-11 EP disclosed
US-20140275428-A1 Copolymers Of Conjugated Dienes And Vinyl Organophosphines Prepared By Anionic Polymerization BRIDGESTONE CORPORATION (JP) 2014-09-18 US disclosed
US-20130296480-A1 PREPARATION OF FUNCTIONAL POLYMERS PHOSPHORUS-CONTAINING ORGANOMETAL INITIATORS BRIDGESTONE CORPORATION (JP) 2013-11-07 US disclosed
WO-2013166124-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORPORATION (JP) 2013-11-07 WO 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 TDP1 3460/4885ALDH1A1 2369/4885CYP19A1 2971/4885

“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.