SCHEMBL4796159

SCHEMBL4796159

CCC(=O)N1Cc2ccc(Br)cc2CCc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 14/20 0.76
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4803277 0.87 HSD17B3 (0.74) HSD17B3MEN1KMT2ATSHRNPC1
SCHEMBL22102183 0.86 HSD17B3 (0.71) HSD17B3MEN1KMT2ATSHRPOLB
SCHEMBL4801009 0.85 HSD17B3 (0.69) HSD17B3TSHRNPC1POLBMAPT
SCHEMBL4795456 0.82 HSD17B3 (1.00) HSD17B3MEN1KMT2ATSHRPOLB
SCHEMBL4800990 0.82 HSD17B3 (0.76) HSD17B3MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4799212 0.81 HSD17B3 (1.00) HSD17B3
SCHEMBL4798893 0.80 HSD17B3 (0.72) HSD17B3MEN1KMT2ANPSR1
SCHEMBL24201501 0.75 HSD17B3 (0.67) HSD17B3MEN1KMT2ATSHRPOLB
SCHEMBL19687695 0.75 CYP11B1 (0.56) TSHRPOLBMAPTKDM4ESMN1; SMN2
SCHEMBL5006023 0.74 TSHR (0.75) MEN1KMT2ATSHRNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885MEN1 1484/4885KMT2A 3316/4885

“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.