SCHEMBL170579

SCHEMBL170579

CCCCCN=CNCCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.48
ADH1B P00325 3/20 0.48
ADH1A P07327 3/20 0.48
ADH7 P40394 3/20 0.48
ADH1C P00326 2/20 0.48
ADH4 P08319 1/20 0.48
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NAAA Q02083 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
THRB P10828 1/20 0.30
PPARA Q07869 2/20 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
SCHEMBL170578 1.00 EPHX1 (0.48) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL29253567 0.95 ADH1B (0.44) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL15806820 0.93 EPHX1 (0.46) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL3060455 0.88 ADH1B (0.46) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL905748 0.88 ADH1B (0.46) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL14518450 0.84 EPHX1 (0.50) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL13512568 0.84 EPHX1 (0.50) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL15836182 0.78 ALDH1A1 (0.35) EPHX1ADH1BADH1AADH7ADH1C
Acetic Acid SCHEMBL10405012 0.78 ADH1B (0.42) EPHX1ADH1BADH1AADH7ADH1C
Acetic Acid SCHEMBL10405011 0.78 ADH1B (0.42) EPHX1ADH1BADH1AADH7ADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373973-B1 Additives for curing fluoroelastomers containing bromine or iodine AUSIMONT SPA (IT) 1994-10-26 EP claimed
EP-0373973-A2 Additives for curing fluoroelastomers containing bromine or iodine AUSIMONT S.p.A. (IT) 1990-06-20 EP claimed
EP-0192466-A2 Novel chalcogen heterocycles, processes for their preparation, and articles containing such heterocycles EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-08-27 EP claimed
JP-58079977-A None JP disclosed
JP-55049353-A None JP disclosed
US-8530687-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-09-10 US disclosed
US-20120276376-A1 PRESSURE-SENSITIVE ADHESIVE SHEET AND METHOD FOR PRODUCING THE SAME NITTO DENKO CORPORATION (JP) 2012-11-01 US disclosed
US-20120059182-A1 Catalysts, Methods of Makting Catalysts, and Methods of Use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 US disclosed
US-20100279468-A1 LAMINATED FILM AND PROCESS FOR PRODUCING SEMICONDUCTOR DEVICE NITTO DENKO CORPORATION (JP) 2010-11-04 US disclosed
US-20100279109-A1 LAMINATED FILM AND PROCESS FOR PRODUCING SEMICONDUCTOR DEVICE NITTO DENKO CORPORATION (JP) 2010-11-04 US disclosed
US-5502115-A SCAVENGERS, PREVENTING FORMATION OF METHYL BROMIDE AND METHYL IODIDE AUSIMONT S.R.L. (IT) 1996-03-26 US disclosed
US-4536567-A Removal of the catalyst from polyphenylene ethers BASF AKTIENGESELLSCHAFT (DE) 1985-08-20 US disclosed
US-4496679-A USING UNSATURATED ALCOHOL, AMINE, OR MERCAPTAN BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
US-4482705-A POLYMERIC CARBOXY ACID, COPPER COMPLEX WITH AMINE BASF AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed
US-4460764-A COMPLEXING BASF AKTIENGESELLSCHAFT (DE) 1984-07-17 US disclosed
US-4404359-A OXIDATION OF SUBSTITUTED MONOHYDRIC PHENOLS, THEN POLYMERIZATION IN PRESENCE OF CATALYST COMPLEX CONSISTING OF COPPER SALT AND N-SUBSTITUTED IMIDAZOLE BASF AKTIENGESELLSCHAFT (DE) 1983-09-13 US disclosed
JP-S5879977-A PREPARATION OF INDOLE NIPPON KAYAKU CO LTD 1983-05-13 JP disclosed
JP-S5549353-A PREPARATION OF INDOLE MITSUI TOATSU CHEM INC 1980-04-09 JP disclosed
US-3966805-A HERBICIDES SANDOZ LTD. (CH) 1976-06-29 US disclosed
US-3963708-A Bis-azomethine metal complex colorants from hydroxycoumarin derivatives or hydroxychromone derivatives CIBA-GEIGY CORPORATION (US) 1976-06-15 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-20120059182-A1 Catalysts, Methods of Makting Catalysts, and Methods of Use DKC1, ADCK1, AMD1 EPHX1 3017/4885ADH1B 186/4885ADH1A 131/4885

“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.