SCHEMBL13618292

SCHEMBL13618292

C=C(C)/C=C\C(=C/C)OC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 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
SCHEMBL14671605 0.80
SCHEMBL18175773 0.77
SCHEMBL13618578 0.76
SCHEMBL18436570 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10053041 0.73
SCHEMBL16312717 0.73
SCHEMBL852141 0.72
SCHEMBL852156 0.72
SCHEMBL852140 0.72
SCHEMBL12948850 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049419-B1 NOVEL 20(S)-SULFONYLAMIDINE DERIVATIVES OF CAMPTOTHECIN AND THE USE THEREOF AS A POTENT ANTITUMOR AGENT UNIV MEDICAL HOSPITAL CHINA (TW) 2017-11-08 EP disclosed
EP-2850087-B1 BETA-BORATION OF ALKENE AND ALKYNE INTERMEDIATES LEK PHARMACEUTICALS (SI) 2017-08-02 EP disclosed
EP-2763554-B1 NOVEL SUBSTITUTED CYCLOHEXANE COMPOUNDS TAKASAGO INT CORP (USA) (US) 2017-05-03 EP disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
WO-2013006734-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2013-01-10 WO disclosed
WO-2012158915-A2 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R. J. REYNOLDS TOBACCO COMPANY (US) 2012-11-22 WO disclosed
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-0974587-B1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEM IND CO (JP) 2008-04-23 EP disclosed
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed
EP-1793272-A1 SILVER HALIDE COLOR PHOTOGRAPHIC PHOTOSENSITIVE MATERIAL AND METHOD OF IMAGE FORMING FUJIFILM CORPORATION (JP) 2007-06-06 EP 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-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885TP53 4604/4885TSHR 2647/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885TP53 4604/4885TSHR 2647/4885

“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.