SCHEMBL2406969

SCHEMBL2406969

CCCCCOC(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.45
NAAA Q02083 2/20 0.44
PLA2G4B P0C869 1/20 0.44
PPARA Q07869 4/20 0.44
PPARG P37231 3/20 0.44
GPR88 Q9GZN0 1/20 0.43

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
SCHEMBL8081509 0.98 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPC1RAB9ATSHR
SCHEMBL8072241 0.98 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPC1RAB9ATSHR
SCHEMBL8081132 0.98 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPC1RAB9ATSHR
SCHEMBL5508979 0.98 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPC1RAB9ATSHR
SCHEMBL10639062 0.98 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPC1RAB9ATSHR
SCHEMBL8081523 0.98 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPC1RAB9ATSHR
SCHEMBL3485833 0.95 TSHR (0.46) SMN1; SMN2LMNANPC1RAB9ATSHR
SCHEMBL8084866 0.88 PPARA (0.47) SMN1; SMN2LMNACYP3A4ALDH1A1PPARA
SCHEMBL17724542 0.88 PPARA (0.47) SMN1; SMN2LMNACYP3A4ALDH1A1PPARA
SCHEMBL10698580 0.87 LMNA (0.48) SMN1; SMN2LMNANPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56120687-A None JP disclosed
US-11083717-B2 Compositions and methods for drug sensitization of parasites THE TEXAS A&M UNIVERSITY SYSTEM (US) 2021-08-10 US disclosed
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM 2020-05-07 US disclosed
US-20190314381-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA THE TEXAS A&M UNIVERSITY SYSTEM 2019-10-17 US disclosed
US-10300071-B2 Compositions and methods for inhibition of mycobacteria THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-05-28 US disclosed
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA THE TEXAS A&M UNIVERSITY SYSTEM 2017-03-09 US disclosed
EP-2155692-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
US-8026362-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
EP-2155692-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
US-20090076045-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2009-03-19 US disclosed
WO-2008145562-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
JP-S56120687-A CEPHALOSPORIN DERIVATIVE AND ITS PREPARATION TAKEDA CHEM IND LTD 1981-09-22 JP 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-10300071-B2 Compositions and methods for inhibition of mycobacteria ME3, PGLS, GNPAT SMN1; SMN2 4812/4885LMNA 1692/4885NPC1 1297/4885
US-20190314381-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT SMN1; SMN2 4812/4885LMNA 1692/4885NPC1 1297/4885
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, ABCG2 SMN1; SMN2 4367/4885LMNA 2846/4885NPC1 1324/4885
US-11083717-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 SMN1; SMN2 4367/4885LMNA 2846/4885NPC1 1324/4885
US-20090076045-A1 Non-nucleoside reverse transcriptase inhibitors HPRT1, XDH, REV1 SMN1; SMN2 2429/4885LMNA 2236/4885NPC1 546/4885
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT SMN1; SMN2 4812/4885LMNA 1692/4885NPC1 1297/4885

“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.