SCHEMBL3000972

SCHEMBL3000972

OBO.c1ccc2c(-c3cc4cc-4c3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MCL1 Q07820 2/20 0.47
ACMSD Q8TDX5 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MPI P34949 1/20 0.41

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
SCHEMBL2010178 0.89 CA12 (0.50) FNTAFNTBMCL1ACMSDHDAC8
SCHEMBL29866205 0.89 CA12 (0.50) FNTAFNTBMCL1ACMSDHDAC8
SCHEMBL28619809 0.85 TNF (0.53) MCL1ACMSDHDAC8HDAC6CA12
SCHEMBL14036308 0.82 MCL1 (0.53) FNTAFNTBMCL1ACMSDHDAC8
SCHEMBL29628903 0.82 MCL1 (0.53) FNTAFNTBMCL1ACMSDHDAC8
SCHEMBL16489398 0.82 PPARG (0.41) FNTAFNTBMCL1ACMSDHDAC8
SCHEMBL2962923 0.81 FNTA (0.45) FNTAFNTBMCL1ACMSDHDAC8
SCHEMBL20698348 0.80 CA12 (0.47) FNTAFNTBMCL1ACMSDHDAC8
SCHEMBL15678835 0.80 HDAC8 (0.44) FNTAFNTBMCL1ACMSDHDAC8
SCHEMBL4927910 0.80 HSD17B1 (0.48) FNTAFNTBMCL1ACMSDHDAC8

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-8221907-B2 Chrysene derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-07-17 US disclosed
US-20100194270-A1 CHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-08-05 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-20100194270-A1 CHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME RPS10, OR10J3, RPS25 FNTA 476/4885FNTB 473/4885MCL1 3257/4885

“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.