SCHEMBL78586

SCHEMBL78586

O=Cc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 2/20 0.59
CASP1 P29466 1/20 0.59
ERN1 O75460 3/20 0.57
ALDH1A1 P00352 4/20 0.53
TP53 P04637 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
MYC P01106 2/20 0.46
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
KDM4E B2RXH2 3/20 0.44
GRIK1 P39086 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.43
SRD5A2 P31213 1/20 0.43
CYP2C9 P11712 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL20448832 0.90 TSHR (0.49) SMN1; SMN2TSHRCASP1ERN1ALDH1A1
SCHEMBL78317 0.84 ALDH1A1 (0.59) SMN1; SMN2TSHRCASP1ERN1ALDH1A1
SCHEMBL29953040 0.84 ALDH1A1 (0.59) SMN1; SMN2TSHRCASP1ERN1ALDH1A1
SCHEMBL4303573 0.82 TSHR (0.57) SMN1; SMN2TSHRCASP1ERN1ALDH1A1
SCHEMBL9463305 0.82 ERN1 (0.55) SMN1; SMN2TSHRCASP1ERN1ALDH1A1
SCHEMBL9190390 0.80 ERN1 (0.49) SMN1; SMN2TSHRCASP1ERN1ALDH1A1
SCHEMBL9790002 0.80 ERN1 (0.67) SMN1; SMN2TSHRCASP1ERN1ALDH1A1
SCHEMBL7069945 0.79 TSHR (0.53) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL7069948 0.79 TSHR (0.53) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL2420654 0.78 ABL1 (0.60) SMN1; SMN2ERN1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11199543-A None JP disclosed
JP-11199544-A None JP disclosed
JP-11246542-A None JP disclosed
CN-117486844-A Green synthesis method of photo-promoted quaternary carbon center-containing phthalide derivative 重庆医科大学 2024-02-02 CN disclosed
CN-113336780-B Preparation method of 2-formyl-4- (4-cyanophenoxy) phenylboronic acid pinacol ester 山东省药学科学院 2023-02-17 CN disclosed
CN-113336780-A Preparation method of 2-formyl-4- (4-cyanophenoxy) phenylboronic acid pinacol ester 山东省药学科学院 2021-09-03 CN disclosed
EP-3356338-B1 METHODS FOR SYNTHESIZING RHODAMINE DYES PROMEGA CORP (US) 2020-06-17 EP disclosed
US-10093806-B2 Methods for synthesizing rhodamine dyes PROMEGA CORPORATION (US) 2018-10-09 US disclosed
EP-3356338-A1 METHODS FOR SYNTHESIZING RHODAMINE DYES Promega Corporation (US) 2018-08-08 EP disclosed
US-20170096560-A1 METHODS FOR SYNTHESIZING RHODAMINE DYES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-04-06 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
EP-1581501-A1 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2005-10-05 EP disclosed
EP-1539701-A1 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-06-15 EP disclosed
US-20040192612-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-09-30 US disclosed
WO-2004058718-A1 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-15 WO disclosed
US-20040072850-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-04-15 US disclosed
WO-2004002961-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-08 WO disclosed
JP-H11246542-A NEW DICHLOROPHTHALIDE AND ITS PRODUCTION, AND PRODUCTION OF 2-FORMYLBENZOIC ACID NUCLEUS CHLORINATION PRODUCTS USING THE SAME NIPPON LIGHT METAL CO LTD 1999-09-14 JP disclosed
JP-H11199543-A PRODUCTION OF BENZENE NUCLEUS-CHLORINATED 2-FORMYLBENZOIC ACID NIPPON LIGHT METAL CO LTD 1999-07-27 JP disclosed
JP-H11199544-A PRODUCTION OF BENZENE NUCLEUS-CHLORINATED 2-FORMYLBENZOIC ACID NIPPON LIGHT METAL CO LTD 1999-07-27 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 (2 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-20040072850-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP2 SMN1; SMN2 655/4885TSHR 4796/4885CASP1 1/4885
US-20040192612-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP5 SMN1; SMN2 302/4885TSHR 3868/4885CASP1 1/4885

“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.