SCHEMBL19200311

SCHEMBL19200311

c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4c3ccc3ccccc34)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.45
HSD17B2 P37059 3/20 0.45
HPRT1 P00492 3/20 0.44
SOS1 Q07889 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 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
SCHEMBL23683107 0.94 HSD17B1 (0.47) HSD17B1HSD17B2SOS1CYP1A2CYP2D6
SCHEMBL31499010 0.94 HSD17B1 (0.47) HSD17B1HSD17B2SOS1CYP1A2CYP2D6
SCHEMBL19199346 0.92 HPRT1 (0.45) HSD17B1HSD17B2HPRT1SOS1CYP1A2
SCHEMBL25575171 0.91 HSD17B1 (0.42) HSD17B1HSD17B2SOS1CYP1A2CYP2D6
SCHEMBL25633816 0.91 HSD17B1 (0.45) HSD17B1HSD17B2SOS1CYP1A2CYP2D6
SCHEMBL18880015 0.90 HPRT1 (0.47) HPRT1SOS1CYP1A2CYP2D6CYP2C9
SCHEMBL25060824 0.90 CA12 (0.43) HSD17B1HSD17B2SOS1CYP1A2CYP2D6
SCHEMBL15366859 0.89 PIM1 (0.45) HSD17B1HSD17B2SOS1CYP1A2CYP2D6
SCHEMBL536536 0.89 PIM1 (0.47) HSD17B1HSD17B2SOS1CYP1A2CYP2D6
SCHEMBL29350427 0.89 PIM1 (0.47) HSD17B1HSD17B2SOS1CYP1A2CYP2D6

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-20170222153-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2017-08-03 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-20170222153-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES ANXA7, AAAS, ANXA1 HSD17B1 2935/4885HSD17B2 2853/4885HPRT1 549/4885

“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.