SCHEMBL19199299

SCHEMBL19199299

c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.50
HSD17B2 P37059 3/20 0.50
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP1B1 Q16678 2/20 0.47
HIF1A Q16665 1/20 0.47
ESR1 P03372 5/20 0.44
ESR2 Q92731 5/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALOX5 P09917 2/20 0.43
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 3/20 0.41
HPGD P15428 1/20 0.41
GSTP1 P09211 1/20 0.40
HPRT1 P00492 1/20 0.40

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
SCHEMBL22127106 0.93 HSD17B1 (0.57) HSD17B1HSD17B2CYP1B1ESR1ESR2
SCHEMBL29884153 0.93 HSD17B1 (0.57) HSD17B1HSD17B2CYP1B1ESR1ESR2
SCHEMBL2849156 0.93 ALDH1A1 (0.54) HSD17B1HSD17B2ALDH1A1HSD17B10CYP1B1
SCHEMBL3786709 0.91 ALDH1A1 (0.48) HSD17B1HSD17B2ALDH1A1HSD17B10CYP1B1
SCHEMBL19199245 0.91 ESR1 (0.50) HSD17B1HSD17B2ALDH1A1HSD17B10CYP1B1
SCHEMBL24618933 0.89 HSD17B1 (0.53) HSD17B1HSD17B2ALDH1A1HSD17B10CYP1B1
SCHEMBL22708077 0.89 HSD17B1 (0.53) HSD17B1HSD17B2ALDH1A1HSD17B10CYP1B1
SCHEMBL29330637 0.88 HSD17B1 (0.49) HSD17B1HSD17B2ALDH1A1HSD17B10CYP1B1
SCHEMBL18880023 0.87 CYP1B1 (0.48) HSD17B1HSD17B2ALDH1A1HSD17B10CYP1B1
SCHEMBL24174187 0.87 HSD17B1 (0.52) HSD17B1HSD17B2ALDH1A1HSD17B10CYP1B1

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 2853/4885ALDH1A1 1238/4885

“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.