SCHEMBL3402034

SCHEMBL3402034

CC(C)/C(O)=C(\O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.33

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
SCHEMBL3402036 1.00 ALDH1A1 (0.36) ALDH1A1LMNATP53
SCHEMBL12758008 0.77
SCHEMBL7864340 0.77
SCHEMBL14852687 0.71
SCHEMBL17344810 0.71
SCHEMBL10205381 0.71
SCHEMBL329115 0.71
Isobutane SCHEMBL11367071 0.68
Isobutane SCHEMBL429587 0.68 ALDH1A1 (0.50) ALDH1A1LMNATP53
SCHEMBL1377688 0.67

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
US-20180179204-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-06-28 US disclosed
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-02 US disclosed
CN-101925554-B Shrinkage reducing agent CONSTR RES & TECH GMBH 2014-06-18 CN disclosed
US-8353983-B2 Shrinkage reducing agent CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-01-15 US disclosed
US-20120266782-A9 Shrinking Reducing Agent CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-10-25 US disclosed
EP-2247552-B1 SHRINKAGE REDUCING AGENT CONSTR RES & TECH GMBH (DE) 2012-07-11 EP disclosed
US-20120125236-A1 Shrinking Reducing Agent CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-05-24 US disclosed
CN-101925554-A Shrinkage reducing agent CONSTR RES & TECH GMBH 2010-12-22 CN disclosed
EP-2247552-A1 SHRINKAGE REDUCING AGENT Construction Research & Technology GmbH (DE) 2010-11-10 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2009095131-A1 SHRINKAGE REDUCING AGENT CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-08-06 WO disclosed
EP-0658602-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-21 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 (5 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-20180179204-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A ALDH1A1 235/4885LMNA 2879/4885TP53 401/4885
US-20120125236-A1 Shrinking Reducing Agent BCL2A1, CCAR2, C1R ALDH1A1 1955/4885LMNA 333/4885TP53 2529/4885
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A ALDH1A1 437/4885LMNA 2875/4885TP53 248/4885
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 ALDH1A1 314/4885LMNA 3498/4885TP53 3894/4885
US-20120266782-A9 Shrinking Reducing Agent BCL2A1, CCAR2, C1R ALDH1A1 1955/4885LMNA 333/4885TP53 2529/4885

“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.