SCHEMBL16787347

SCHEMBL16787347

Nc1ccc(-c2cccc3c2Sc2ccccc2S3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ CYP3A4 P08684 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ APP P05067 3/20 0.38
▸ BLM P54132 1/20 0.37
▸ KIT P10721 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ NCOA1 Q15788 2/20 0.36
▸ NCOA3 Q9Y6Q9 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35

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
SCHEMBL16165379 0.85 ALOX5 (0.50) ALOX5CYP3A4TDP1HSD17B10TAAR1
SCHEMBL10985315 0.84 ALOX5 (0.53) ALOX5HSD17B10ALDH1A1ATMPRKDC
SCHEMBL16166953 0.83 ALOX5 (0.53) ALOX5CYP3A4TDP1APPALDH1A1
SCHEMBL23555385 0.81 ALOX5 (0.47) ALOX5ALDH1A1ATMPRKDCPIK3CA
SCHEMBL30301299 0.81 ALOX5 (0.47) ALOX5ALDH1A1ATMPRKDCPIK3CA
SCHEMBL27866829 0.81 ALOX5 (0.65) ALOX5HSD17B10APPALDH1A1ATM
SCHEMBL16787342 0.81 ALOX5 (0.47) ALOX5HSD17B10ALDH1A1TP53ATM
SCHEMBL17474342 0.80 ALOX5 (0.58) ALOX5CYP3A4TDP1APPBLM
SCHEMBL23555387 0.80 ALOX5 (0.46) ALOX5ALDH1A1ATMPRKDCPIK3CA
SCHEMBL17485918 0.80 ALOX5 (0.46) ALOX5NCOA1NCOA3ATMPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 — — US disclosed
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 — — 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-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, ODC1, OR51E2 ALOX5 344/4885CYP3A4 280/4885TDP1 1636/4885

“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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