SCHEMBL24890641

SCHEMBL24890641

O=CCCc1cc2c(cc1Cl)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
BRS3 P32247 1/20 0.38
HPGD P15428 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 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
SCHEMBL27383158 0.82 CYP3A4 (0.40) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL27364514 0.81 ALDH1A1 (0.40) CRHBPCRHR2ALDH1A1TDP1HSD17B10
SCHEMBL6239134 0.79 CYP1A2 (0.44) ALDH1A1TDP1HSD17B10CYP1A2CYP3A4
SCHEMBL13064529 0.76 CYP3A4 (0.49) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL11669921 0.76 MEN1 (0.41) CRHBPCRHR2ALDH1A1TDP1CYP1A2
SCHEMBL12404328 0.75 CRHBP (0.43) CRHBPCRHR2ALDH1A1TDP1CYP1A2
SCHEMBL30970294 0.74 KDM4E (0.48) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL7470848 0.74 KDM4E (0.48) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL15264825 0.73 MEN1 (0.53) ALDH1A1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL22702252 0.73 CYP3A4 (0.46) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4

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-20230016922-A1 VISIBLE-LIGHT MEDIATED ORGANOPHOTOREDOX CATALYTIC DEUTERATION OF AROMATIC AND ALIPHATIC ALDEHYDES NATIONAL INSTITUTES OF HEALTH 2023-01-19 US 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-20230016922-A1 VISIBLE-LIGHT MEDIATED ORGANOPHOTOREDOX CATALYTIC DEUTERATION OF AROMATIC AND ALIPHATIC ALDEHYDES AOX1, TDO2, TALDO1 CRHBP 4481/4885CRHR2 4570/4885ALDH1A1 34/4885

“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.