SCHEMBL1369232

SCHEMBL1369232

C=CCC(CC=C)(C(=O)O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL5363414 0.88 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL19244726 0.83 ALDH1A1 (0.32) ALDH1A1TSHRHTT
SCHEMBL8529090 0.80 FOLH1 (0.37) ALDH1A1TSHR
SCHEMBL7252347 0.77 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL2364327 0.75 PPARD (0.32) ALDH1A1TSHR
SCHEMBL11498320 0.74 ALDH1A1 (0.36) ALDH1A1TSHRHTTKMT2A
SCHEMBL5824325 0.73
Acrylic Acid SCHEMBL28624579 0.72 LMNA (0.40) ALDH1A1TSHR
SCHEMBL19212018 0.70 LPAR2 (0.31) ALDH1A1TSHR
SCHEMBL2392569 0.70 CYP4F2 (0.33) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508521-B1 Dimaleat of an amino crotonyl compound and method of production thereof BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP claimed
EP-1678165-B1 METHOD FOR THE PRODUCTION OF AMINO CROTONYL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP claimed
US-8426586-B2 Using a acyl bromine compound; activation with phosphonacetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US claimed
US-20070027170-A1 Process for preparing amino crotonyl compounds SOYKA RAINER 2007-02-01 US claimed
US-20050085495-A1 Process for preparing amino crotonyl compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US claimed
US-20140248317-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND GLYTECH, INC. (JP) 2014-09-04 US disclosed
US-8426586-B2 Using a acyl bromine compound; activation with phosphonacetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
EP-2567963-A1 Trehalose compound, method for producing same, and pharmaceutical product containing the compound Otsuka Chemical Co., Ltd. (JP) 2013-03-13 EP disclosed
EP-1981863-B1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2012-10-10 EP disclosed
US-8188274-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-29 US disclosed
US-8067593-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 US disclosed
US-20110207932-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 US disclosed
US-7960546-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-14 US disclosed
US-20090306378-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
US-20070027170-A1 Process for preparing amino crotonyl compounds SOYKA RAINER 2007-02-01 US disclosed
US-20050085495-A1 Process for preparing amino crotonyl compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 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 (6 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-20140248317-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND TREH, MAN2B1, NFATC1 ALDH1A1 1285/4885TSHR 2522/4885HTT 2692/4885
US-20070027170-A1 Process for preparing amino crotonyl compounds CROCC, CMA1, IL4I1 ALDH1A1 681/4885TSHR 4643/4885HTT 2716/4885
US-20110207932-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 ALDH1A1 3573/4885TSHR 49/4885HTT 3949/4885
US-20090306378-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES EGFR, CNKSR1, ERBB2 ALDH1A1 3870/4885TSHR 80/4885HTT 4346/4885
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 ALDH1A1 3573/4885TSHR 49/4885HTT 3949/4885
US-20050085495-A1 Process for preparing amino crotonyl compounds INMT, IL4I1, HNMT ALDH1A1 1062/4885TSHR 4742/4885HTT 3714/4885

“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.