SCHEMBL3866971

SCHEMBL3866971

C=C1C[C@H](CCCCCC)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 3/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
FASN P49327 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL8398214 1.00 ALDH1A1 (0.44) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2
SCHEMBL10416344 1.00 ALDH1A1 (0.44) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2
SCHEMBL8398070 0.98 ALDH1A1 (0.42) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2
SCHEMBL8394016 0.93 ALDH1A1 (0.40) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2
SCHEMBL8398149 0.85 ALDH1A1 (0.35) ALDH1A1TSHRCYP1A2
SCHEMBL11046181 0.82 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2
SCHEMBL8529727 0.82 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2
SCHEMBL351953 0.82 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2
SCHEMBL21722512 0.82 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2
SCHEMBL21722823 0.82 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2HTTSMN1; SMN2

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-7579375-B2 Branched carboxylic acid compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-25 US disclosed
US-20070167522-A1 Branched carboxylic acid compound and use thereof ONO PHARMACEUTICAL CO LTD 2007-07-19 US disclosed
EP-1650182-A1 BRANCHED CARBOXYLIC ACID COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-26 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-20070167522-A1 Branched carboxylic acid compound and use thereof BDNF, CA1, BACE1 ALDH1A1 23/4885TSHR 4354/4885CYP1A2 1467/4885

“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.