SCHEMBL10214294

SCHEMBL10214294

CCC(=O)c1ccc2c(c1)Sc1ccc(C(=O)CCl)cc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL10170811 0.93 ALDH1A1 (0.42) ATMHPGDALDH1A1MAPTTSHR
SCHEMBL11820732 0.87 ALDH1A1 (0.46) ATMHPGDALDH1A1MAPTTP53
SCHEMBL11817359 0.82 CTNNB1 (0.39) HPGDALDH1A1TSHRSMN1; SMN2CTNNB1
Hydrochloric Acid SCHEMBL11817157 0.78 MAPT (0.43) ATMHPGDALDH1A1MAPTTP53
SCHEMBL11819666 0.77 HPGD (0.40) ATMHPGDTSHRCTNNB1WNT3A
Hydrochloric Acid SCHEMBL11819328 0.76 HPGD (0.39) ATMHPGDMAPTTSHRMEN1
SCHEMBL619096 0.75 ALDH1A1 (0.50) ATMHPGDALDH1A1MAPTTP53
SCHEMBL11819443 0.74 THRA (0.48) HPGDALDH1A1MAPTCTNNB1WNT3A
SCHEMBL11747287 0.72 CTNNB1 (0.39) HPGDALDH1A1MAPTTP53TSHR
SCHEMBL11815161 0.71 HPGD (0.39) ATMHPGDALDH1A1MAPTTP53

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-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 — — 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-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 ATM 3917/4885HPGD 2155/4885ALDH1A1 1685/4885

“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.

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