SCHEMBL2680708

SCHEMBL2680708

CCCCCCCCC=CCCCCCCCC(=O)NO.CCCCCCCCC=CCCCCCCCC(=O)NO

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.77
TERT O14746 3/20 0.63
PTPN1 P18031 3/20 0.63
PPARG P37231 3/20 0.63
PPARD Q03181 3/20 0.63
PPARA Q07869 3/20 0.63
CYP1A2 P05177 2/20 0.63
MAPT P10636 2/20 0.63
CYP2C19 P33261 2/20 0.63
BLM P54132 2/20 0.63
HSD17B10 Q99714 2/20 0.63
FABP4 P15090 2/20 0.63
FAAH O00519 2/20 0.63
KMT2A Q03164 2/20 0.63
GMNN O75496 1/20 0.63
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63

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
SCHEMBL25712483 1.00 HSP90AA1 (0.77) HSP90AA1TERTPTPN1PPARGPPARD
SCHEMBL6891974 1.00 HSP90AA1 (0.77) HSP90AA1TERTPTPN1PPARGPPARD
SCHEMBL15061596 1.00 HSP90AA1 (0.77) HSP90AA1TERTPTPN1PPARGPPARD
SCHEMBL13400832 1.00 HSP90AA1 (0.77) HSP90AA1TERTPTPN1PPARGPPARD
SCHEMBL3492921 1.00 HSP90AA1 (0.77) HSP90AA1TERTPTPN1PPARGPPARD
SCHEMBL22190346 1.00 HSP90AA1 (0.77) HSP90AA1TERTPTPN1PPARGPPARD
Potassium SCHEMBL32681948 0.98 HSP90AA1 (0.74) HSP90AA1TERTPTPN1PPARGPPARD
SCHEMBL1928628 0.95 MEN1 (0.69) HSP90AA1PPARGPPARDPPARAMAPT
SCHEMBL3154754 0.89 CNR1 (0.71) PPARGPPARDPPARAMAPTBLM
SCHEMBL9319819 0.89 HSP90AA1 (0.59) HSP90AA1PPARGPPARDPPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282719-B1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS REVALESIO CORP (US) 2018-05-30 EP disclosed
US-20120114702-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS REVALESIO CORPORATION 2012-05-10 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-20120114702-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS CHRM3, CHRNG, GRK3 HSP90AA1 2320/4885TERT 1727/4885PTPN1 1969/4885

“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.