SCHEMBL4800611

SCHEMBL4800611

Clc1ccc2c(c1)CNc1ccccc1CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NOTUM Q6P988 1/20 0.38
F2 P00734 2/20 0.36
PLAT P00750 1/20 0.36
PRSS1 P07477 1/20 0.36
HTR2B P41595 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL14084321 0.81 GAA (0.63) GAANPSR1ALOX15HSD17B10ALDH1A1
SCHEMBL8563763 0.79 NPSR1 (0.67) GAANPSR1ALOX15HSD17B10ALDH1A1
SCHEMBL4809585 0.78 BCHE (0.44) GAAMAPTMEN1KMT2ANOTUM
SCHEMBL11111017 0.76 ALOX15 (0.67) GAANPSR1ALOX15HSD17B10MAPT
SCHEMBL7337925 0.76 ALOX15 (0.67) GAANPSR1ALOX15HSD17B10MAPT
SCHEMBL14279325 0.74 AHR (0.41) GAAHSD17B10MAPTMEN1KMT2A
SCHEMBL9273786 0.73 GAA (0.49) GAANPSR1MAPTMEN1KMT2A
SCHEMBL7341760 0.73 ALOX15 (0.63) GAANPSR1ALOX15HSD17B10HTR2B
SCHEMBL6970933 0.73 NPSR1 (0.67) GAANPSR1ALOX15HSD17B10ALDH1A1
SCHEMBL4807696 0.73 AHR (0.44) GAAMAPTMEN1KMT2ANOTUM

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 4 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-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
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 GAA 811/4885NPSR1 4409/4885ALOX15 1805/4885

“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.