SCHEMBL3248985

SCHEMBL3248985

CCCCC(CC)CNc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 2/20 0.56
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.52
HDAC3 O15379 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC4 P56524 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
HTT P42858 2/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43

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
Hydrochloric Acid SCHEMBL11405504 0.98 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRCYP3A4HDAC3
SCHEMBL11725798 0.94 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRCYP3A4HDAC3
SCHEMBL1812493 0.91 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRCYP3A4HDAC3
SCHEMBL11049089 0.89 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRCYP3A4HDAC3
SCHEMBL22176874 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRCYP3A4HDAC3
SCHEMBL4557994 0.86 HDAC8 (0.48) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL11046011 0.85 MAPT (0.48) ALDH1A1KDM4ETSHRCYP3A4HDAC3
SCHEMBL24025159 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRCYP3A4HDAC3
SCHEMBL11269996 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRCYP3A4HDAC3
SCHEMBL20353180 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRCYP3A4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4254092-A Method for separating hydrogen chloride and hydrogen bromide CHEMISCHE WERKE HULS AG (DE) 1981-03-03 US claimed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
CN-110249004-B Polyimide precursor composition 东京应化工业株式会社 2022-07-19 CN disclosed
CN-108389512-B Laminate, flexible device, and method for producing laminate 东京应化工业株式会社 2022-04-15 CN disclosed
CN-108387954-B Laminate, flexible device, and method for producing laminate 东京应化工业株式会社 2022-01-18 CN disclosed
EP-3522191-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM Corporation (JP) 2019-08-07 EP disclosed
CN-104812731-A Method for producing formic acid BASF SE 2015-07-29 CN disclosed
EP-2820088-A1 ELECTROWETTING FLUIDS Merck Patent GmbH (DE) 2015-01-07 EP disclosed
CN-104024203-A Process for producing formic acid BASF SE 2014-09-03 CN disclosed
CN-102596878-B Process for preparing formic acid by reaction of carbon dioxide with hydrogen BASF SE 2014-07-09 CN disclosed
EP-0243956-A2 Adhesive compositions Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-11-04 EP disclosed
US-4468526-A Process for the preparation of thiuram disulfides AKZONA INCORPORATED (US) 1984-08-28 US disclosed
EP-0027508-B1 PROCESS FOR PREPARING AMMONIA AND HYDROGEN CHLORIDE FROM AMMONIUM CHLORIDE CHEMISCHE WERKE HÜLS AG (DE) 1982-07-28 EP disclosed
US-4305917-A AMINO HYDROCHLORIDE FORMATION CHEMISCHE WERKE HULS AG (DE) 1981-12-15 US disclosed
EP-0003472-B1 PROCESS FOR SEPARATING HYDROGEN CHLORIDE FROM SOLUTIONS OF AMINO-HYDROCHLORIDES CHEMISCHE WERKE HÜLS AG (DE) 1981-09-16 EP disclosed
EP-0008330-B1 PROCESS FOR THE SEPARATION OF HYDROGEN CHLORIDE AND HYDROGEN BROMINE CHEMISCHE WERKE HÜLS AG (DE) 1981-05-20 EP disclosed
EP-0027508-A1 Process for preparing ammonia and hydrogen chloride from ammonium chloride CHEMISCHE WERKE HÜLS AG (DE) 1981-04-29 EP disclosed
US-4254092-A Method for separating hydrogen chloride and hydrogen bromide CHEMISCHE WERKE HULS AG (DE) 1981-03-03 US disclosed
EP-0003472-A2 Process for separating hydrogen chloride from solutions of amino-hydrochlorides CHEMISCHE WERKE HÜLS AG (DE) 1979-08-22 EP disclosed
US-4115530-A EXTRACTION WITH AMINES CHEMISCHE WERKE HULS AG (DE) 1978-09-19 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 (1 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-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 ALDH1A1 4328/4885KDM4E 3500/4885TSHR 4165/4885

“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.