SCHEMBL6937935

SCHEMBL6937935

c1ccc(C(=C(c2ccccc2)P(C2CCCCC2)C2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.34
KMO O15229 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PSMB1 P20618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
PKM P14618 1/20 0.32

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 0.80 RAB9A (0.37) MCL1RAB9ANPC1POLBKMO
SCHEMBL20955841 0.79 MCL1 (0.43) MCL1RAB9ANPC1POLBKMO
SCHEMBL15364449 0.78 ESR1 (0.36) MCL1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6939059 0.76 MEN1 (0.38) MCL1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL27714879 0.76 RAB9A (0.39) MCL1RAB9ANPC1POLBKMO
SCHEMBL14743627 0.75 RAB9A (0.34) MCL1RAB9ANPC1POLBKMO
SCHEMBL30989518 0.71 RAB9A (0.33) MCL1RAB9ANPC1POLBKMO
SCHEMBL8419261 0.70 MEN1 (0.39) MCL1RAB9ANPC1POLBKMO
Hydrochloric Acid SCHEMBL4446458 0.68 HPGD (0.38) POLBALDH1A1GAAHPGDLMNA
SCHEMBL8424311 0.68 RAB9A (0.34) MCL1RAB9ANPC1POLBKMO

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 MCL1 962/4885RAB9A 219/4885NPC1 4752/4885

“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.