SCHEMBL9968557

SCHEMBL9968557

Cc1cc(-c2ccc(-c3cccc(-c4ccc(-c5cc(C)c(C)c(C)c5)cn4)c3)nc2)cc(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.54
HSD17B2 P37059 3/20 0.54
MAP4K4 O95819 2/20 0.40
KDM1A O60341 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
NPC1 O15118 1/20 0.39
HPGDS O60760 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
WNT3A P56704 1/20 0.37
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9968558 0.86 BRD4 (0.47) HSD17B1HSD17B2KDM1A
SCHEMBL4402499 0.84 HPGDS (0.46) HSD17B1HSD17B2MAP4K4NPC1HPGDS
SCHEMBL12973163 0.79 HSD17B1 (0.59) HSD17B1HSD17B2MAP4K4KDM1ANPC1
SCHEMBL13910991 0.79 HSD17B1 (0.63) HSD17B1HSD17B2NPC1HPGDSKDM4E
SCHEMBL12957239 0.77 HSD17B1 (0.67) HSD17B1HSD17B2MAP4K4IRAK4NPC1
SCHEMBL4402515 0.76 HSD17B1 (0.61) HSD17B1HSD17B2MAP4K4KDM1ACYP3A4
SCHEMBL4406991 0.76 HSD17B1 (0.51) HSD17B1HSD17B2MAP4K4KDM1ARAB9A
SCHEMBL12129605 0.75 HSD17B1 (0.59) HSD17B1HSD17B2CYP3A4CYP2A6MEN1
SCHEMBL9968559 0.75 HSD17B1 (0.64) HSD17B1HSD17B2KDM1AIRAK4NPC1
SCHEMBL4400277 0.75 HSD17B1 (0.50) HSD17B1HSD17B2MAP4K4KDM1ARAB9A

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-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 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 (2 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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO HSD17B1 1397/4885HSD17B2 1757/4885MAP4K4 4128/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO HSD17B1 1833/4885HSD17B2 1857/4885MAP4K4 4122/4885

“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.