SCHEMBL5456494

SCHEMBL5456494

CCCCC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.71
HTR7 P34969 1/20 0.69
STS P08842 1/20 0.56
RARB P10826 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL9625547 0.94 HSD17B3 (0.72) HSD17B3HTR7STSRARBL3MBTL1
SCHEMBL5130232 0.92 HSD17B3 (0.73) HSD17B3HTR7STSRARBL3MBTL1
SCHEMBL9625683 0.92 HSD17B3 (0.73) HSD17B3HTR7STSRARBL3MBTL1
SCHEMBL9625687 0.92 HSD17B3 (0.73) HSD17B3HTR7STSRARBL3MBTL1
SCHEMBL9625875 0.92 HSD17B3 (0.73) HSD17B3HTR7STSRARBL3MBTL1
SCHEMBL9626892 0.92 HSD17B3 (0.73) HSD17B3HTR7STSRARBL3MBTL1
SCHEMBL9626903 0.92 HSD17B3 (0.73) HSD17B3HTR7STSRARBL3MBTL1
SCHEMBL9440276 0.92 HSD17B3 (0.73) HSD17B3HTR7STSRARBL3MBTL1
SCHEMBL14522305 0.91 HSD17B3 (0.83) HSD17B3HTR7STSL3MBTL1HPGD
SCHEMBL9346532 0.87 HSD17B3 (0.67) HSD17B3HTR7RARBL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9885008-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-02-06 US disclosed
US-20160186103-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA 2016-06-30 US disclosed
US-9312041-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-04-12 US disclosed
US-20140110605-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2014-04-24 US disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO disclosed
EP-0733037-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1996-09-25 EP disclosed
WO-1995015941-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1995-06-15 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 (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-20160186103-A1 PHOTOLABILE PRO-FRAGRANCES CUTA, TRPA1, PIR HSD17B3 4385/4885HTR7 521/4885STS 2328/4885
US-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 HSD17B3 2185/4885HTR7 4036/4885STS 3638/4885

“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.