SCHEMBL12768310

SCHEMBL12768310

OBOc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc4ccccc4c3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ HSD17B1 P14061 2/20 0.38
▸ HSD17B2 P37059 2/20 0.38
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ GSTP1 P09211 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL10122762 0.94 ESR1 (0.41) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL10122758 0.91 HSD17B1 (0.45) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL18116152 0.91 ESR1 (0.46) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL12551064 0.82 HDAC4 (0.43) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL17852145 0.82 ESR1 (0.41) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL17852138 0.79 HSD17B1 (0.44) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL2964464 0.79 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL269358 0.79 ESR1 (0.50) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL21238074 0.76 ESR1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL19720301 0.76 ESR1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2

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 5 patents. 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
US-9660195-B2 Anthracene derivative having a phenanthryl group IDEMITSU KOSAN CO., LTD. (JP) 2017-05-23 — — US disclosed
US-8822041-B2 Anthracene derivatives, luminescent materials and organic electroluminescent devices IDEMITSU KOSAN CO., LTD. (JP) 2014-09-02 — — US disclosed
US-20140103319-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2014-04-17 — — US disclosed
US-20110068683-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES Idemtsu Kosan Co., Ltd 2011-03-24 — — 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-20170222153-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES ANXA7, AAAS, ANXA1 ESR1 26/4885ESR2 74/4885ALOX5 323/4885
US-20110068683-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES ANXA7, AAAS, ANXA1 ESR1 26/4885ESR2 74/4885ALOX5 323/4885

“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.

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