SCHEMBL4801009

SCHEMBL4801009

O=C(Cc1ccccc1)N1Cc2ccc(Br)cc2CCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 11/20 0.69
ALDH1A1 P00352 3/20 0.60
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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 0.85 HSD17B3 (0.74) HSD17B3RAB9ANPC1MAPTPOLB
SCHEMBL4796159 0.85 HSD17B3 (0.76) HSD17B3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL870320 0.80 ALDH1A1 (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4795456 0.78 HSD17B3 (1.00) HSD17B3RAB9APOLBTSHR
SCHEMBL4800990 0.78 HSD17B3 (0.76) HSD17B3SMN1; SMN2LMNATSHRMAPK1
SCHEMBL4798893 0.78 HSD17B3 (0.72) HSD17B3
SCHEMBL4799212 0.77 HSD17B3 (1.00) HSD17B3
SCHEMBL4630914 0.76 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL14156333 0.76 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21064089 0.70 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT

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 1/4885ALDH1A1 186/4885RAB9A 3605/4885

“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.