SCHEMBL4420846

SCHEMBL4420846

Cc1cc2ccc3cc(C)sc3c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.36
CYP1A2 P05177 2/20 0.36
NPSR1 Q6W5P4 2/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL18195307 0.88 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL10441966 0.87 ALDH1A1 (0.33) CYP2A6CYP1A2NPSR1PKMRXFP1
SCHEMBL18965754 0.86 BACE1 (0.36) ALDH1A1MAPT
SCHEMBL18133625 0.85 ALDH1A1 (0.32) CYP2A6CYP1A2NPSR1PKMRXFP1
SCHEMBL17427785 0.85 ALDH1A1 (0.32) CYP2A6CYP1A2NPSR1PKMRXFP1
SCHEMBL12278300 0.85 ALDH1A1 (0.32) CYP2A6CYP1A2NPSR1PKMRXFP1
SCHEMBL4416728 0.84 CYP2A6 (0.33) CYP2A6MAPT
SCHEMBL19645064 0.83 CYP1A2 (0.37) CYP2A6CYP1A2NPSR1PKMRXFP1
SCHEMBL19756689 0.79 PKM (0.32) NPSR1PKMRXFP1HDAC3HDAC4
SCHEMBL22746325 0.79 PKM (0.32) NPSR1PKMRXFP1HDAC3HDAC4

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 91 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-2764034-B1 POLYMERS BASED ON BENZODIONES CLAP CO LTD (KR) 2023-08-30 EP disclosed
WO-2023106062-A1 ELECTRO-OPTIC FILM, COMPOUND, ELECTRO-OPTIC COMPOSITION, AND ELECTRO-OPTIC ELEMENT 住友化学株式会社 2023-06-15 WO disclosed
US-10403822-B2 Thienothiophene-isoindigo BASF SE (DE) 2019-09-03 US disclosed
US-10388881-B2 Sorting of carbon nanotubes BASF SE (DE) 2019-08-20 US disclosed
EP-3024040-B1 ORGANIC FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR MATERIAL AND USE APPLICATIONS THEREOF FUJIFILM CORP (JP) 2019-05-08 EP disclosed
US-20190036029-A1 ORGANIC THIN FILM TRANSISTOR ELEMENT, ORGANIC SEMICONDUCTOR FILM-FORMING COMPOSITION, METHOD OF FORMING ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2019-01-31 US disclosed
EP-2571919-B1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2018-07-11 EP disclosed
US-20180175300-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180145258-A1 ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND MANUFACTURING METHOD THEREOF FUJIFILM CORPORATION (JP) 2018-05-24 US disclosed
US-20090318681-A1 METAL COMPLEX, AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318681-A1 METAL COMPLEX, AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
EP-2133145-A1 ELECTRODE CATALYST FOR FUEL CELL Sumitomo Chemical Company, Limited (JP) 2009-12-16 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 (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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885CYP1A2 640/4885NPSR1 4758/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885CYP1A2 640/4885NPSR1 4758/4885
US-20090318681-A1 METAL COMPLEX, AND USE THEREOF MT-CO1, CYC1, ACAD9 CYP2A6 856/4885CYP1A2 417/4885NPSR1 4108/4885

“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.