SCHEMBL7140583

SCHEMBL7140583

O=Cc1cccc(OCCCc2ccccc2)c1OCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTGES O14684 2/20 0.53
ALOX5 P09917 2/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
PPARG P37231 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
SCN9A Q15858 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 2/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL28788684 0.85 CCNB2 (0.52) HPGDALDH1A1HTTSMN1; SMN2PTGES
SCHEMBL7350252 0.85 NPC1 (0.55) SMN1; SMN2NPC1RAB9ASCN9AHTR1A
SCHEMBL10648882 0.84 ALDH1A1 (0.67) HPGDALDH1A1HTTSMN1; SMN2PTGDR2
SCHEMBL16706965 0.84 HPGD (0.53) HPGDALDH1A1HTTSMN1; SMN2PTGES
SCHEMBL1300234 0.84 HPGD (0.60) HPGDALDH1A1HTTSMN1; SMN2PTGES
SCHEMBL6000358 0.83 ALDH1A1 (0.65) HPGDALDH1A1HTTSMN1; SMN2PTGDR2
SCHEMBL9428004 0.83 ALDH1A1 (0.65) HPGDALDH1A1HTTSMN1; SMN2PTGDR2
SCHEMBL8731751 0.82 NPC1 (0.55) HPGDALDH1A1HTTSMN1; SMN2PTGES
SCHEMBL1558065 0.80 ALDH1A1 (0.71) HPGDALDH1A1HTTSMN1; SMN2PTGES
SCHEMBL1050281 0.80 CCNB2 (0.59) HPGDALDH1A1HTTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506755-B2 5-((2,4-bis-(4-methylphenylmethoxy)phenyl)methylene)-4-oxo-2-thioxo-3 -thiazolidineacetic acid, for example; treatment and prophylaxis of tumors and tumor metastasis HOFFMANN-LA ROCHE INC. 2003-01-14 US disclosed
US-20020037901-A1 Thiazolidinecarboxyl acids HOFFMANN-LA ROCHE INC. 2002-03-28 US disclosed
EP-1189894-A1 THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP disclosed
WO-2001057006-A1 THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2001-08-09 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 (1 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-20020037901-A1 Thiazolidinecarboxyl acids TPMT, NAT1, THRA HPGD 2167/4885ALDH1A1 27/4885HTT 2039/4885

“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.