SCHEMBL6193299

SCHEMBL6193299

CCCCCCCCCCCCC1NC(CO)(CO)CO1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.38
PRKCA P17252 2/20 0.37
SPHK2 Q9NRA0 3/20 0.35
SPHK1 Q9NYA1 3/20 0.35
GBA1 P04062 6/20 0.34

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
SCHEMBL6198171 1.00 ALDH1A1 (0.40) ALDH1A1EPHX1PRKCASPHK2SPHK1
SCHEMBL6194532 1.00 ALDH1A1 (0.40) ALDH1A1EPHX1PRKCASPHK2SPHK1
SCHEMBL6192081 1.00 ALDH1A1 (0.40) ALDH1A1EPHX1PRKCASPHK2SPHK1
SCHEMBL6194421 1.00 ALDH1A1 (0.40) ALDH1A1EPHX1PRKCASPHK2SPHK1
SCHEMBL6195417 1.00 ALDH1A1 (0.40) ALDH1A1EPHX1PRKCASPHK2SPHK1
SCHEMBL7201103 0.77 ALDH1A1 (0.44) ALDH1A1EPHX1SPHK2SPHK1GBA1
SCHEMBL4395556 0.75 ENPP2 (0.35) ALDH1A1PRKCA
SCHEMBL6195195 0.69 LMNA (0.30)
SCHEMBL28213403 0.67 ALDH1A1 (0.48) ALDH1A1EPHX1PRKCASPHK2SPHK1
SCHEMBL28580833 0.67 ALDH1A1 (0.48) ALDH1A1EPHX1PRKCASPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256313-A1 Co-surfactants based on aldehydes BASF AKTIENGESELLSCHAFT (DE) 2005-11-17 US claimed
EP-1525192-A2 CO-SURFACTANTS BASED ON ALDEHYDES BASF AKTIENGESELLSCHAFT (DE) 2005-04-27 EP claimed
WO-2004009564-A2 CO-SURFACTANTS BASED ON ALDEHYDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-29 WO claimed
US-20050256313-A1 Co-surfactants based on aldehydes BASF AKTIENGESELLSCHAFT (DE) 2005-11-17 US disclosed
EP-1525192-A2 CO-SURFACTANTS BASED ON ALDEHYDES BASF AKTIENGESELLSCHAFT (DE) 2005-04-27 EP disclosed
WO-2004009564-A2 CO-SURFACTANTS BASED ON ALDEHYDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-29 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 (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-20050256313-A1 Co-surfactants based on aldehydes C1S, C9, C5 ALDH1A1 372/4885EPHX1 982/4885PRKCA 3421/4885

“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.