SCHEMBL16929708

SCHEMBL16929708

N#Cc1cc2ccc3cccc4ccc(c1C#N)c2c34

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CYP1A1 P04798 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ ANPEP P15144 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL309235 0.85 TDP1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29501045 0.81 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5748495 0.81 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5750983 0.81 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2584711 0.81 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29804460 0.79 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2350296 0.79 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28671989 0.77 ALDH1A1 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5747661 0.76 TDP1 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5746300 0.76 TDP1 (0.42) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112997332-B Organic semiconductor element, strain sensor, vibration sensor, and method for manufacturing organic semiconductor element 国立大学法人东京大学 2025-03-11 — — CN disclosed
CN-118742796-A Organic semiconductor element, strain gauge, measurement device, and method for manufacturing organic semiconductor element 国立大学法人东京大学 2024-10-01 — — CN disclosed
US-9834740-B2 Photoactivators THE PROCTER & GAMBLE COMPANY (US) 2017-12-05 — — US disclosed
CN-104876825-B A kind of derivant of pyrene and its preparation method and application 北京印刷学院 2017-03-01 — — CN disclosed
EP-3097169-A1 CONSUMER PRODUCT COMPOSITIONS The Procter & Gamble Company (US) 2016-11-30 — — EP disclosed
EP-3097176-A1 PHOTOACTIVATORS The Procter & Gamble Company (US) 2016-11-30 — — EP disclosed
EP-3097168-A1 SYSTEMS AND METHODS FOR TREATING A SURFACE The Procter & Gamble Company (US) 2016-11-30 — — EP disclosed
CN-104876825-A Pyrene derivative as well as preparation method and application thereof BEIJING INST GRAPHIC COMM 2015-09-02 — — CN disclosed
US-20150210960-A1 Photoactivators THE PROCTER & GAMBLE COMPANY 2015-07-30 — — US disclosed
US-20150210964-A1 Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2015-07-30 — — US disclosed
US-20150210963-A1 Systems and Methods for Treating a Surface THE PROCTER & GAMBLE COMPANY 2015-07-30 — — US disclosed
WO-2015112667-A1 SYSTEMS AND METHODS FOR TREATING A SURFACE THE PROCTER & GAMBLE COMPANY (US) 2015-07-30 — — WO disclosed
WO-2015112675-A1 PHOTOACTIVATORS THE PROCTER & GAMBLE COMPANY (US) 2015-07-30 — — WO disclosed
WO-2015112671-A1 CONSUMER PRODUCT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2015-07-30 — — WO 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 (3 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-20150210960-A1 Photoactivators NQO1, TYR, CYP1A1 CYP1A2 17/4885ERBB2 1108/4885FYN 3250/4885
US-20150210963-A1 Systems and Methods for Treating a Surface HMBS, PPOX, TTPA CYP1A2 81/4885ERBB2 1234/4885FYN 2046/4885
US-20150210964-A1 Consumer Product Compositions NQO1, TYR, ETFA CYP1A2 166/4885ERBB2 3623/4885FYN 2710/4885

“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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