SCHEMBL19200465

SCHEMBL19200465

c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccc7ccccc7c6c5)c5ccccc45)cc3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HIF1A Q16665 2/20 0.47
CYP1B1 Q16678 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 2/20 0.43
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MCL1 Q07820 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
PPARG P37231 5/20 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
SCHEMBL18880008 0.91 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CA12
SCHEMBL1925913 0.89 CA12 (0.46) CA12CA1CA2CA9HDAC8
SCHEMBL29489153 0.89 CA12 (0.46) CA12CA1CA2CA9HDAC8
SCHEMBL23823623 0.89 CA12 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1CA12
SCHEMBL24446252 0.89 CA12 (0.55) CA12CA1CA2CA9HDAC8
SCHEMBL25474080 0.87 HDAC8 (0.44) CYP1B1CA12CA1CA2CA9
SCHEMBL4444811 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1CA12
SCHEMBL25060846 0.86 CA12 (0.50) CA12CA1CA2CA9HDAC8
SCHEMBL19199345 0.86 HPRT1 (0.50) ALDH1A1HSD17B10HIF1ACA12CA1
SCHEMBL25633662 0.85 ALOX5 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CA12

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 ALDH1A1 1238/4885HSD17B10 809/4885HIF1A 4521/4885

“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.