SCHEMBL4508150

SCHEMBL4508150

CCc1ccc(N2CCCC2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
AKR1C3 P42330 1/20 0.48
SRD5A1 P18405 1/20 0.46
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.43
BRD9 Q9H8M2 1/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP1 P09874 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
AR P10275 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7901528 0.85 HSD17B10 (0.48) HSD17B10AKR1C3SRD5A1MAPK1TP53
SCHEMBL4518789 0.84 HSD17B10 (0.43) HSD17B10SRD5A1MAPK1TP53PKM
SCHEMBL1675923 0.82 HSD17B10 (0.49) HSD17B10AKR1C3MAPK1BRD9USP2
SCHEMBL2760313 0.81 HSD17B10 (0.57) HSD17B10AKR1C3TP53BRD9LMNA
SCHEMBL4480763 0.81 SRD5A1 (0.42) HSD17B10AKR1C3SRD5A1MAPK1TP53
SCHEMBL19049642 0.81 HSD17B10 (0.43) HSD17B10SRD5A1TP53USP2LMNA
SCHEMBL30168124 0.80 HSD17B10 (0.59) HSD17B10AKR1C3MAPK1TP53BRD9
SCHEMBL3866085 0.80 HSD17B10 (0.59) HSD17B10AKR1C3MAPK1TP53BRD9
SCHEMBL8305499 0.80 HSD17B10 (0.51) HSD17B10AKR1C3TP53BRD9LMNA
SCHEMBL12070446 0.80 HSD17B10 (0.55) HSD17B10AKR1C3MAPK1TP53PKM

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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HSD17B10 1064/4885AKR1C3 1038/4885SRD5A1 3176/4885

“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.