SCHEMBL6937164

SCHEMBL6937164

CC(=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.38
TSHR P16473 3/20 0.38
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 2/20 0.38
HBB P68871 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HSD17B10 Q99714 2/20 0.35
SLC18A3 Q16572 1/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL377393 0.81 RAB9A (0.37) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15364449 0.80 ESR1 (0.36) ALDH1A1GAANPC1RAB9AKMT2A
SCHEMBL14742456 0.70 ALDH1A1 (0.42) HDAC3HDAC1HDAC2EPHX1ALDH1A1
SCHEMBL2326261 0.70 ALDH1A1 (0.65) HDAC1ALDH1A1HPGDMAPTMAPK1
SCHEMBL16965741 0.69 ALDH1A1 (0.41) HDAC3HDAC1HDAC2EPHX1ALDH1A1
SCHEMBL16965449 0.69 ALDH1A1 (0.41) HDAC3HDAC1HDAC2EPHX1ALDH1A1
SCHEMBL6935597 0.69 ALDH1A1 (0.44) HDAC1ALDH1A1HPGDMAPTMAPK1
SCHEMBL11421704 0.68 ALDH1A1 (0.56) HDAC1ALDH1A1HPGDMAPTMAPK1
SCHEMBL20994189 0.68 ALDH1A1 (0.44) HDAC3HDAC1HDAC2EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL9938484 0.68 ALDH1A1 (0.40) HDAC3HDAC1HDAC2EPHX1ALDH1A1

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 HDAC3 3258/4885HDAC1 3093/4885HDAC2 1786/4885

“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.