SCHEMBL6286434

SCHEMBL6286434

CCCCCCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
S1PR1 P21453 5/20 0.67
S1PR3 Q99500 3/20 0.67
S1PR2 O95136 3/20 0.67
FFAR1 O14842 1/20 0.65
FFAR4 Q5NUL3 1/20 0.65
CYSLTR2 Q9NS75 1/20 0.63
CYSLTR1 Q9Y271 1/20 0.63
RARB P10826 5/20 0.62
MEN1 O00255 1/20 0.62
RARA P10276 1/20 0.62
MAPT P10636 1/20 0.62
MTOR P42345 1/20 0.62
KMT2A Q03164 1/20 0.62
HSD17B10 Q99714 2/20 0.61
HPGD P15428 1/20 0.61
ESR1 P03372 2/20 0.60
ADRA2A P08913 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
TACR2 P21452 2/20 0.60

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
SCHEMBL6288014 1.00 ALDH1A1 (0.70) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL10435207 1.00 ALDH1A1 (0.70) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL20854085 1.00 ALDH1A1 (0.70) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL2185948 1.00 ALDH1A1 (0.70) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL6285855 0.98 ALDH1A1 (0.72) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL7338362 0.95 RARB (0.71) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL31270921 0.95 RARB (0.71) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL7338308 0.93 RARB (0.70) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL25170021 0.92 S1PR1 (0.71) ALDH1A1S1PR1S1PR3S1PR2FFAR1
SCHEMBL6151349 0.92 S1PR1 (0.71) ALDH1A1S1PR1S1PR3S1PR2CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM ALDH1A1 2470/4885S1PR1 1388/4885S1PR3 2228/4885

“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.