SCHEMBL2498909

SCHEMBL2498909

c1cc2c(ccc3sccc32)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
CYP2A6 P11509 2/20 0.41
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.34
GPR3 P46089 1/20 0.33
DYRK1A Q13627 2/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL29352476 1.00 KDM4E (0.45) KDM4EMAPTALDH1A1HTTHPGD
SCHEMBL20182388 0.94 KDM4E (0.42) KDM4EMAPTALDH1A1HTTHPGD
SCHEMBL2368365 0.94 KDM4E (0.42) KDM4EMAPTALDH1A1HTTHPGD
SCHEMBL29733485 0.94 KDM4E (0.42) KDM4EMAPTALDH1A1HTTHPGD
SCHEMBL12278092 0.94 KDM4E (0.42) KDM4EMAPTALDH1A1HTTHPGD
SCHEMBL12269162 0.84 CYP2A6 (0.42) KDM4EMAPTALDH1A1HTTHPGD
SCHEMBL420650 0.80 ALDH1A1 (0.55) MAPTALDH1A1TDP1LMNACYP2A6
SCHEMBL31678978 0.78 ALDH1A1 (0.52) MAPTALDH1A1TDP1LMNACYP2A6
SCHEMBL1487826 0.76 HPRT1 (0.58) MAPTALDH1A1HPGDTDP1LMNA
SCHEMBL4420529 0.76 MAPT (0.37) KDM4EMAPTALDH1A1HTTHPGD

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 69 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
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP claimed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
WO-2023189399-A1 POLYMER AND USE THEREOF 日産化学株式会社 2023-10-05 WO disclosed
US-11778893-B2 Indaceno derivatives as organic semiconductors CLAP CO., LTD. (KR) 2023-10-03 US disclosed
US-20210384434-A1 INDACENO DERIVATIVES AS ORGANIC SEMICONDUCTORS CLAP CO., LTD. (KR) 2021-12-09 US disclosed
EP-3230291-B1 BIS-THIENOBENZOTHIENOTHIOPHENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION ENI SPA (IT) 2019-01-23 EP disclosed
EP-2571919-B1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2018-07-11 EP disclosed
US-9920067-B2 Bis-thienobenzothienothiophene compounds and process for their preparation ENI S.P.A. (IT) 2018-03-20 US disclosed
US-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS BASF SE (DE) 2017-12-21 US disclosed
US-20170342087-A1 BIS-THIENOBENZOTHIENOTHIPOHENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Eni S.p.A.it (IT) 2017-11-30 US disclosed
US-20080076872-A1 Organic semiconductor composition comprising oligomer compounds, composition for patterning organic smiconductor layer comprising the same, organic semiconductor thin film using the same and organic electronic device employing the thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-27 US disclosed
US-20070287220-A1 Organic semiconductor materials using stacking-inducing compounds, compositions comprising such materials, organic semiconductor thin films formed using such compositions, and organic electronic devices incorporating such thin films SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-12-13 US disclosed
US-20070287220-A1 Organic semiconductor materials using stacking-inducing compounds, compositions comprising such materials, organic semiconductor thin films formed using such compositions, and organic electronic devices incorporating such thin films SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-12-13 US disclosed
US-20070166871-A1 NPN-type low molecular aromatic ring compounds and organic semiconductors and electronic devices incorporating such compounds SAMSUNG ELECTRONICS CO., LTD. 2007-07-19 US disclosed
US-20070166871-A1 NPN-type low molecular aromatic ring compounds and organic semiconductors and electronic devices incorporating such compounds SAMSUNG ELECTRONICS CO., LTD. 2007-07-19 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 (6 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 KDM4E 1418/4885MAPT 446/4885ALDH1A1 657/4885
US-20210384434-A1 INDACENO DERIVATIVES AS ORGANIC SEMICONDUCTORS IPO11, CYP1B1, IDO1 KDM4E 1949/4885MAPT 2054/4885ALDH1A1 94/4885
US-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS OR10J3, NR0B1, NR0B2 KDM4E 3255/4885MAPT 4373/4885ALDH1A1 1283/4885
US-20170342087-A1 BIS-THIENOBENZOTHIENOTHIPOHENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION TST, DUS2, DDT KDM4E 1285/4885MAPT 621/4885ALDH1A1 815/4885
US-20070166871-A1 NPN-type low molecular aromatic ring compounds and organic semiconductors and electronic devices incorporating such compounds PNN, PNP, TYR KDM4E 606/4885MAPT 522/4885ALDH1A1 4267/4885
US-11778893-B2 Indaceno derivatives as organic semiconductors IPO11, CYP1B1, IDO1 KDM4E 1949/4885MAPT 2054/4885ALDH1A1 94/4885

“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.