SCHEMBL588136

SCHEMBL588136

C=CC(=O)OC(=O)CCCC(=O)OC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 11/20 0.44
ALDH1A1 P00352 9/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.40
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
PTGS1 P23219 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
SCHEMBL28495861 0.95 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2776924 0.93 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL588137 0.91 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL301337 0.90 TSHR (0.42) TSHRALDH1A1CYP3A4HPGDTP53
Ammonia Solution, Strong SCHEMBL589022 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL588848 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL588940 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL588709 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28909748 0.89 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL588941 0.88 CA1 (0.39) TSHRALDH1A1CYP3A4HPGDTP53

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-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-8025901-B2 Bifunctional-modified hydrogels WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-09-27 US disclosed
US-20100209509-A1 BIFUNCTIONAL-MODIFIED HYDROGELS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-08-19 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed
US-7615593-B2 Comprises interpenetrating polymer network/matrix (of collagen and/or gelatin) modified with endcapped polyalkylene glycol; drug delivery; for incorporation into bandages, surgical and dental wound packing material, diapers and catamenial devices WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-11-10 US disclosed
US-20060100369-A1 Bifunctional-modified hydrogels KAO WEIYUAN J 2006-05-11 US disclosed
US-20050276858-A1 Bifunctional-modified hydrogels NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-15 US disclosed
EP-1423093-A4 BIFUNCTIONAL-MODIFIED HYDROGELS WISCONSIN ALUMNI RES FOUND (US) 2005-11-30 EP disclosed
EP-1423093-A2 BIFUNCTIONAL-MODIFIED HYDROGELS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-06-02 EP disclosed
US-20030083389-A1 Bifunctional-modified hydrogels NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US disclosed
WO-2002085419-A2 BIFUNCTIONAL-MODIFIED HYDROGELS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2002-10-31 WO disclosed
EP-0267574-A2 Heat resistant copolymer composition Sumitomo Dow Limited (JP) 1988-05-18 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 (3 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-20050276858-A1 Bifunctional-modified hydrogels PCNA, CDC25B, ALG1 TSHR 3688/4885ALDH1A1 281/4885CYP3A4 3418/4885
US-20100209509-A1 BIFUNCTIONAL-MODIFIED HYDROGELS PCNA, CDC25B, ALG1 TSHR 3688/4885ALDH1A1 281/4885CYP3A4 3418/4885
US-20060100369-A1 Bifunctional-modified hydrogels PCNA, CDC25B, ALG1 TSHR 3688/4885ALDH1A1 281/4885CYP3A4 3418/4885

“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.