SCHEMBL13838136

SCHEMBL13838136

COC(=O)CCCc1ccc(OC)s1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
TRPV1 Q8NER1 5/20 0.44
TSHR P16473 3/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRNP P04156 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MIF P14174 1/20 0.37

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
SCHEMBL3932272 0.90 RPS6KB2 (0.51) HPGDTRPV1TSHRRPS6KB2ALDH1A1
SCHEMBL25469437 0.85 ALDH1A1 (0.53) HPGDTRPV1RPS6KB2ALDH1A1LMNA
SCHEMBL4903733 0.81 HPGD (0.58) HPGDTRPV1TSHRRPS6KB2ALDH1A1
SCHEMBL7474007 0.81 HPGD (0.58) HPGDTRPV1TSHRRPS6KB2ALDH1A1
SCHEMBL17203308 0.81 TRPV1 (0.60) HPGDTRPV1TSHRRPS6KB2ALDH1A1
SCHEMBL12781015 0.80 ACACA (0.43) HPGDRPS6KB2ALDH1A1MAPTLMNA
SCHEMBL13838139 0.79 HPGD (0.89) HPGDTRPV1TSHRRPS6KB2ALDH1A1
SCHEMBL2224980 0.78 HPGD (0.56) HPGDTRPV1TSHRRPS6KB2ALDH1A1
SCHEMBL9602681 0.78 FFAR1 (0.49) RPS6KB2ALDH1A1MAPTLMNAPRNP
SCHEMBL9024556 0.78 HPGD (0.36) HPGDTRPV1

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-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 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 (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-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HPGD 2186/4885TRPV1 3821/4885TSHR 1177/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HPGD 2446/4885TRPV1 3863/4885TSHR 1705/4885

“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.