SCHEMBL57214

SCHEMBL57214

c1ccc2c(-c3ccc4ccc5ccc(-c6cccc7ccccc67)cc5c4c3)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.54
ACMSD Q8TDX5 1/20 0.54
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HIF1A Q16665 1/20 0.52
CYP1B1 Q16678 1/20 0.52
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4444811 0.98 ALDH1A1 (0.56) MCL1ACMSDALDH1A1HSD17B10HIF1A
SCHEMBL31742566 0.91 MCL1 (0.54) MCL1ACMSDALDH1A1HSD17B10HIF1A
SCHEMBL1373671 0.90 MCL1 (0.50) MCL1ACMSDALDH1A1HSD17B10HIF1A
SCHEMBL30274189 0.89 GSTP1 (0.57) MCL1ACMSDALDH1A1HSD17B10CA12
SCHEMBL598962 0.89 GSTP1 (0.57) MCL1ACMSDALDH1A1HSD17B10CA12
SCHEMBL20124391 0.89 MCL1 (0.53) MCL1ACMSDCA12CA1CA2
SCHEMBL25177116 0.87 MCL1 (0.51) MCL1ACMSDALDH1A1HSD17B10HIF1A
SCHEMBL57494 0.87 ALDH1A1 (0.54) MCL1ACMSDALDH1A1HSD17B10HIF1A
SCHEMBL29195637 0.87 MCL1 (0.51) MCL1ACMSDALDH1A1HSD17B10HIF1A
SCHEMBL29986101 0.87 MCL1 (0.51) MCL1ACMSDALDH1A1HSD17B10HIF1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287506-B1 PHENANTHRENE DERIVATIVES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
EP-1797158-B1 PHENANTHRENE DERIVATIVES MERCK PATENT GMBH (DE) 2019-05-01 EP disclosed
EP-3287506-A1 PHENANTHRENE DERIVATIVES Merck Patent GmbH (DE) 2018-02-28 EP disclosed
CN-102775279-B 2,7-dibromo-9-hydroxyl phenanthrene derivatives and preparation method thereof INST CHEMISTRY CO LTD HENAN ACADEMY OF SCIENCES 2014-03-05 CN disclosed
CN-103254044-A 2,7-dibromide-9,10 substituted-phenanthrene derivatives INST CHEMISTRY CO LTD HENAN ACADEMY OF SCIENCES 2013-08-21 CN disclosed
US-8129037-B2 Phenanthrene derivative MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20090026919-A1 PHENANTHRENE DERIVATIVE MERCK PATEN GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2009-01-29 US disclosed
EP-1797158-A1 PHENANTHRENE DERIVATIVE Merck Patent GmbH (DE) 2007-06-20 EP disclosed
WO-2006039982-A1 PHENANTHRENE DERIVATIVE MERCK PATENT GMBH (DE) 2006-04-20 WO disclosed
EP-1645610-A1 Phenanthrene derivatives Covion Organic Semiconductors GmbH (DE) 2006-04-12 EP 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-20090026919-A1 PHENANTHRENE DERIVATIVE LEF1, CRY1, WNT1 MCL1 1329/4885ACMSD 1623/4885ALDH1A1 262/4885

“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.