SCHEMBL12424294

SCHEMBL12424294

CCCCC(CC)CSC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 4/20 0.52
TSHR P16473 4/20 0.52
CA2 P00918 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 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
SCHEMBL26386669 0.90 LMNA (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL6057262 0.89 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL25531477 0.89 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL6057777 0.88 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15030949 0.86 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8856280 0.84 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL258082 0.84 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL22212724 0.84 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL11211294 0.84 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL10699219 0.82 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
EP-3225627-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-21 US disclosed
US-9650456-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-05-16 US disclosed
CN-104220466-B For the method preparing polydiene 株式会社普利司通 2016-09-21 CN disclosed
EP-2825574-B1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORP (JP) 2016-02-24 EP disclosed
US-20150031845-A1 Process For Producing Polydienes BRIDGESTONE CORPORATION (JP) 2015-01-29 US disclosed
EP-2825574-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2015-01-21 EP disclosed
US-8900791-B2 Actinic ray-sensitive or radiation-sensitive resin composition and method of forming pattern with the composition FUJIFILM CORPORATION (JP) 2014-12-02 US disclosed
WO-2013138270-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTSONE CORPORATION (JP) 2013-09-19 WO disclosed
US-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-14 US disclosed
WO-2010035905-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-04-01 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 (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-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION ARSA, RAD51, ARID2 ALDH1A1 2232/4885TDP1 3244/4885CYP3A4 3366/4885
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF VIP, PREP, ACE ALDH1A1 3275/4885TDP1 2218/4885CYP3A4 2295/4885

“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.