SCHEMBL4502876

SCHEMBL4502876

O=C1C=C(O)C(c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.59
GOPC Q9HD26 1/20 0.59
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP19A1 P11511 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
CTRC Q99895 1/20 0.39
LMNA P02545 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL24625215 0.76 CFTR (0.59) CFTRGOPCALDH1A1GAAKMT2A
SCHEMBL4620235 0.74 ALDH1A1 (0.69) ALDH1A1HSD17B10GAAKMT2ATSHR
SCHEMBL5729305 0.74 CFTR (1.00) CFTRGOPCALDH1A1HSD17B10GAA
SCHEMBL4083602 0.71 CFTR (0.53) CFTRGOPCALDH1A1GAAKMT2A
SCHEMBL15657030 0.71 KMT2A (0.52) CFTRGOPCALDH1A1GAAKMT2A
SCHEMBL8220088 0.66 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAHPGDKMT2A
SCHEMBL4206063 0.64 MAOB (0.49) ALDH1A1HSD17B10KMT2AMAPK1CYP19A1
SCHEMBL6608616 0.64 LDHA (0.46) CFTRGOPCALDH1A1GAAKMT2A
SCHEMBL28277361 0.64 ALDH1A1 (0.41) ALDH1A1HSD17B10GAAHPGDKMT2A
SCHEMBL577209 0.64 CYP19A1 (0.56) CFTRGOPCTSHRCYP19A1CTRC

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-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 CFTR 824/4885GOPC 4853/4885ALDH1A1 477/4885

“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.