SCHEMBL4804464

SCHEMBL4804464

COCCNc1cccc(-c2ccc3c(c2)/C=C\c2ccccc2N(C(C)=O)C3)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.39
IRAK4 Q9NWZ3 1/20 0.36
MAP3K5 Q99683 1/20 0.36
MAPK1 P28482 1/20 0.35
P2RX4 Q99571 1/20 0.34
CNR1 P21554 2/20 0.34
BRAF P15056 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CCNT1 O60563 1/20 0.34
IKBKB O14920 1/20 0.34
ADRA1A P35348 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL4804473 1.00 HSD17B3 (0.39) HSD17B3IRAK4MAP3K5MAPK1P2RX4
SCHEMBL4798512 0.83 HSD17B3 (0.46) HSD17B3P2RX4
SCHEMBL4798501 0.83 HSD17B3 (0.46) HSD17B3P2RX4
SCHEMBL4800201 0.81 HSD17B3 (0.43) HSD17B3P2RX4
SCHEMBL4799309 0.81 HSD17B3 (0.45) HSD17B3CNR1
SCHEMBL4799318 0.81 HSD17B3 (0.45) HSD17B3CNR1
SCHEMBL4797028 0.79 HSD17B3 (0.43) HSD17B3IRAK4CNR1PIM1PIM2
SCHEMBL4797023 0.79 HSD17B3 (0.43) HSD17B3IRAK4CNR1PIM1PIM2
SCHEMBL4798186 0.79 HSD17B3 (0.46) HSD17B3
SCHEMBL4798174 0.79 HSD17B3 (0.46) HSD17B3

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 HSD17B3 1/4885IRAK4 4553/4885MAP3K5 3275/4885

“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.