SCHEMBL3850258

SCHEMBL3850258

c1ccc2c(c1)Cc1cc3c(cc1S2)Cc1ccccc1S3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BLM P54132 1/20 0.43
MAOA P21397 3/20 0.36
CYP1A2 P05177 3/20 0.36
PTGS2 P35354 2/20 0.36
CYP3A4 P08684 2/20 0.36
HTR2C P28335 2/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
Thioxanthene SCHEMBL8717 0.90 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL29398766 0.90 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28014365 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28315422 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28061456 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28542371 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL18311802 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL31106427 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28751085 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL27369115 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180224706-A1 PROTIC-SOLUBLE ORGANIC ELECTROCHROMIC COMPOUNDS GENTEX CORPORATION (US) 2018-08-09 US disclosed
US-9939701-B2 Protic-soluble organic electrochromic compounds GENTEX CORPORATION (US) 2018-04-10 US disclosed
US-20170146880-A1 PROTIC-SOLUBLE ORGANIC ELECTROCHROMIC COMPOUNDS GENTEX CORPORATION 2017-05-25 US disclosed
EP-2005497-B1 QUINOID SYSTEMS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2014-10-08 EP disclosed
US-8471019-B2 Quinoid systems as organic semiconductors BASF SE (DE) 2013-06-25 US disclosed
US-8471019-B2 Quinoid systems as organic semiconductors BASF SE (DE) 2013-06-25 US disclosed
CN-101421862-B Quinoid systems as organic semiconductors CIBA HOLDING INC 2013-01-02 CN disclosed
US-20090261321-A1 Quinoid Systems as Organic Semiconductors CIBA CORPORATION (US) 2009-10-22 US disclosed
US-20090261321-A1 Quinoid Systems as Organic Semiconductors CIBA CORPORATION (US) 2009-10-22 US disclosed
CN-101421862-A Quinoid systems as organic semiconductors CIBA HOLDING INC (CH) 2009-04-29 CN disclosed
EP-2005497-A1 QUINOID SYSTEMS AS ORGANIC SEMICONDUCTORS Ciba Holding Inc. (CH) 2008-12-24 EP disclosed
WO-2007118799-A1 QUINOID SYSTEMS AS ORGANIC SEMICONDUCTORS CIBA HOLDING INC. (CH) 2007-10-25 WO disclosed
WO-2007118799-A1 QUINOID SYSTEMS AS ORGANIC SEMICONDUCTORS CIBA HOLDING INC. (CH) 2007-10-25 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-20090261321-A1 Quinoid Systems as Organic Semiconductors HRH4, HRH3, H1-0 ALDH1A1 3749/4885HPGD 907/4885KDM4E 2185/4885
US-20170146880-A1 PROTIC-SOLUBLE ORGANIC ELECTROCHROMIC COMPOUNDS EED, EMC2, IWS1 ALDH1A1 4233/4885HPGD 1493/4885KDM4E 3423/4885
US-20180224706-A1 PROTIC-SOLUBLE ORGANIC ELECTROCHROMIC COMPOUNDS EED, EMC2, IWS1 ALDH1A1 4233/4885HPGD 1493/4885KDM4E 3423/4885

“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.