SCHEMBL4417258

SCHEMBL4417258

Cc1cc2cc3ccsc3cc2s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 3/20 0.32
CA2 P00918 3/20 0.32
PTPRC P08575 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
HTR2C P28335 2/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL17432184 0.94 CYP2A6 (0.35) CYP2A6DYRK1AALDH1A1CA12CA2
SCHEMBL15040947 0.94 CYP2A6 (0.37) CYP2A6DYRK1AALDH1A1CA12CA2
SCHEMBL18386539 0.89 CYP2A6 (0.33) CYP2A6DYRK1AALDH1A1
SCHEMBL18177620 0.89 CYP2A6 (0.33) CYP2A6DYRK1AALDH1A1
SCHEMBL12277651 0.86 CYP2A6 (0.31) CYP2A6ALDH1A1
SCHEMBL19423246 0.86 CYP2A6 (0.31) CYP2A6ALDH1A1
SCHEMBL18965563 0.85 CYP2A6 (0.33) CYP2A6DYRK1AALDH1A1
SCHEMBL19222466 0.85 CYP2A6 (0.33) CYP2A6DYRK1AALDH1A1
SCHEMBL12277677 0.83 CYP2A6 (0.31) CYP2A6ALDH1A1
SCHEMBL4420009 0.82 ALDH1A1 (0.39) CYP2A6ALDH1A1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-3481834-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2023-10-18 EP disclosed
EP-2828903-B1 OPTOELECTRONIC DEVICES COMPRISING POLYMERIC BLENDS RAYNERGY TEK INC (TW) 2017-11-01 EP disclosed
US-9312501-B2 Semiconducting compounds and optoelectronic devices incorporating same POLYERA CORPORATION (US) 2016-04-12 US disclosed
US-9312492-B2 Polymeric blends and related optoelectronic devices RAYNERGY TEK INC. (TW) 2016-04-12 US disclosed
US-9312492-B2 Polymeric blends and related optoelectronic devices RAYNERGY TEK INC. (TW) 2016-04-12 US disclosed
US-9312501-B2 Semiconducting compounds and optoelectronic devices incorporating same POLYERA CORPORATION (US) 2016-04-12 US disclosed
US-20160072070-A1 POLYMERIC BLENDS AND RELATED OPTOELECTRONIC DEVICES POLYERA CORPORATION 2016-03-10 US disclosed
US-20160072070-A1 POLYMERIC BLENDS AND RELATED OPTOELECTRONIC DEVICES POLYERA CORPORATION 2016-03-10 US disclosed
US-20150171332-A1 POLYMERIC BLENDS AND RELATED OPTOELECTRONIC DEVICES RAYNERGY TEK INC. (TW) 2015-06-18 US disclosed
US-20130247990-A1 Conjugated Polymers and Their Use in Optoelectronic Devices RAYNERGY TEK INC. (TW) 2013-09-26 US disclosed
US-20130247992-A1 Polymeric Blends and Related Optoelectronic Devices RAYNERGY TEK INC. (TW) 2013-09-26 US disclosed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885DYRK1A 2218/4885ALDH1A1 657/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885DYRK1A 2218/4885ALDH1A1 657/4885

“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.