SCHEMBL9945691

SCHEMBL9945691

C=CC(=O)OCCCOCCCCCCOCCCOC(=O)C=C

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.83
ALDH1A1 P00352 4/20 0.83
CYP3A4 P08684 2/20 0.83
TP53 P04637 3/20 0.68
HIF1A Q16665 3/20 0.68
HSD17B10 Q99714 1/20 0.68
HPGD P15428 1/20 0.61
THRB P10828 2/20 0.46
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR2 Q8TDS4 3/20 0.40
ATM Q13315 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.36
NAAA Q02083 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 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
SCHEMBL24404688 1.00 TSHR (0.83) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12761985 0.96 TSHR (0.82) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL2921943 0.96 TSHR (0.74) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL17449872 0.96 TSHR (0.82) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9945692 0.96 TSHR (0.74) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9945690 0.96 TSHR (0.74) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL14129252 0.96 TSHR (0.82) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL24240744 0.94 TSHR (0.79) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12082299 0.94 TSHR (0.79) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL26002003 0.93 TSHR (0.78) TSHRALDH1A1CYP3A4TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981068-B2 Polymers which resist bacterial attachment THE UNIVERSITY OF NOTTINGHAM (GB) 2018-05-29 US disclosed
US-20140314826-A1 NOVEL POLYMERS WHICH RESIST BACTERIAL ATTACHMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-23 US disclosed
US-20140314826-A1 NOVEL POLYMERS WHICH RESIST BACTERIAL ATTACHMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-23 US disclosed
US-8808681-B2 Crosslinked, degradable polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-08-19 US disclosed
US-8808681-B2 Crosslinked, degradable polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-08-19 US disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-8318795-B2 Antioxidant polymers containing [1,2]-dithiolane moieties and uses thereof CEDARS-SINAI MEDICAL CENTER (US) 2012-11-27 US disclosed
US-RE43612-E1 Biodegradable poly(β-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-RE43612-E1 Biodegradable poly(β-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2010-04-22 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-7427394-B2 Delivering labile agents; buffering effect; transfecting nucleic acids; nontoxic MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-09-23 US disclosed
US-7427394-B2 Delivering labile agents; buffering effect; transfecting nucleic acids; nontoxic MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-09-23 US disclosed
WO-2008109105-A2 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH SIRNA FLAGSHIP VENTURES (US) 2008-09-12 WO disclosed
US-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-19 US disclosed
US-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-19 US disclosed
WO-2008011561-A2 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-24 WO disclosed
WO-2007143659-A2 CROSSLINKED, DEGRADABLE POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-12-13 WO 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-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability ACP1, ILK, BCAT2 TSHR 4541/4885ALDH1A1 891/4885CYP3A4 1408/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL TSHR 4517/4885ALDH1A1 2664/4885CYP3A4 3739/4885
US-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF GPX1, GPX4, LPO TSHR 3898/4885ALDH1A1 172/4885CYP3A4 2888/4885

“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.