SCHEMBL21143013

SCHEMBL21143013

Fc1ccc(-c2cc[c]cc2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B1 P14061 8/20 0.32
HSD17B2 P37059 8/20 0.32
DAO P14920 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL18876439 0.76 HSD17B1 (0.48) HSD17B1HSD17B2KDM4ENPC1ALDH1A1
SCHEMBL714897 0.74 HSD17B1 (0.52) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL19439597 0.74 DAO (0.42) DAO
SCHEMBL4444739 0.73 APP (0.70) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL27722991 0.73 NPC1 (0.39) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL27702479 0.73 HSD17B1 (0.47) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL145588 0.72 DAO (0.37) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL27867619 0.71 PRKCI (0.50) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL7733123 0.70 PGR (0.43) APPESR1ESR2
SCHEMBL1514398 0.68 CYP2E1 (0.51) APPKDM4EALDH1A1HPGDCYP3A4

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-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 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-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP APP 3219/4885ESR1 4433/4885ESR2 3664/4885

“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.