SCHEMBL23356558

SCHEMBL23356558

C=CCN1C=Cc2ccccc2C1P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PTK2B Q14289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
PRCP P42785 1/20 0.31
CASP3 P42574 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL29657149 0.83 BRD4 (0.34) BRD4CCL2ALDH1A1CYP1A2CYP2C9
SCHEMBL23356587 0.79 MAPT (0.43) BRD4CCL2ALDH1A1CYP1A2CYP2C9
SCHEMBL2874068 0.78 HTR2A (0.37) BRD4CCL2ALDH1A1ATMPRCP
SCHEMBL28323510 0.75 PRCP (0.35) BRD4CCL2ALDH1A1ATMPRCP
SCHEMBL5532790 0.75 PRCP (0.44) BRD4CCL2ALDH1A1SMN1; SMN2PRCP
SCHEMBL23356597 0.74 BRD4 (0.46) BRD4CCL2ALDH1A1CYP1A2CYP2C9
SCHEMBL4277466 0.72 PRCP (0.34) BRD4CCL2PRCPCASP3
SCHEMBL27951331 0.66 BRD4 (0.37) BRD4CCL2ALDH1A1SMN1; SMN2ATM
SCHEMBL23356610 0.66 BRD4 (0.35) BRD4CCL2ALDH1A1CYP1A2CYP2C9
SCHEMBL29657243 0.62 ALDH1A1 (0.43) BRD4CCL2ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US claimed

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-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME CBR1, POR, CAT BRD4 2064/4885CCL2 801/4885ALDH1A1 230/4885

“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.