SCHEMBL6935597

SCHEMBL6935597

CC(=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)P(C(C)(C)C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.42
HBB P68871 1/20 0.42
GFER P55789 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SLC2A1 P11166 1/20 0.39
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.36
HDAC1 Q13547 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
SCHEMBL377450 0.78 ESR1 (0.42) ALDH1A1HSD17B10GAATSHRPOLB
SCHEMBL6938139 0.75 KMT2A (0.49) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL2326261 0.75 ALDH1A1 (0.65) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL11421704 0.73 ALDH1A1 (0.56) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL24851242 0.71 RAB9A (0.69) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL6937808 0.70 ALDH1A1 (0.52) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL6937164 0.69 HDAC3 (0.40) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL11024184 0.68 ALDH1A1 (0.61) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL9701745 0.66 RAB9A (0.67) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL13380244 0.65 SLC2A1 (0.52) ALDH1A1MAPTHPGDALOX15HSD17B10

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 4 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

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 ALDH1A1 2369/4885MAPT 4856/4885HPGD 3594/4885

“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.