SCHEMBL57494

SCHEMBL57494

c1ccc2c(-c3ccc4c(ccc5cc(-c6cccc7ccccc67)ccc54)c3)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 4/20 0.54
HIF1A Q16665 2/20 0.54
CYP1B1 Q16678 1/20 0.54
HPRT1 P00492 3/20 0.52
MCL1 Q07820 1/20 0.51
ACMSD Q8TDX5 1/20 0.51
TSHR P16473 2/20 0.50
CYP2A6 P11509 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 2/20 0.48
HPGD P15428 2/20 0.48
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL28336706 0.98 HPRT1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL31742566 0.91 MCL1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1MCL1
SCHEMBL4444809 0.90 HPRT1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL19199467 0.89 MCL1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL13706395 0.89 CYP2A6 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL598962 0.89 GSTP1 (0.57) ALDH1A1HSD17B10MCL1ACMSDTSHR
SCHEMBL4444811 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL30274189 0.89 GSTP1 (0.57) ALDH1A1HSD17B10MCL1ACMSDTSHR
SCHEMBL1527419 0.88 HPRT1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL25177116 0.88 MCL1 (0.51) ALDH1A1HSD17B10HIF1ACYP1B1MCL1

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 6 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
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-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 ALDH1A1 262/4885HSD17B10 1291/4885HIF1A 1551/4885

“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.