SCHEMBL5839128

SCHEMBL5839128

CCCCCC/C=C/CCCCCCC1CO1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.76
EPHX1 P07099 1/20 0.53
ENPP2 Q13822 10/20 0.50
LPAR2 Q9HBW0 7/20 0.50
TRPV1 Q8NER1 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL18327147 1.00 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL9234695 1.00 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL5839131 1.00 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL9234691 1.00 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL10770166 1.00 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL18327140 1.00 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL30958398 1.00 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL18327149 0.94 ALDH1A1 (0.68) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL899230 0.94 ALDH1A1 (0.68) ALDH1A1EPHX1ENPP2LPAR2TRPV1
SCHEMBL899229 0.94 ALDH1A1 (0.68) ALDH1A1EPHX1ENPP2LPAR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112706-B2 Dimerdiol derivatives and composition of matter including the dimerdiol derivatives CRODA JAPAN KK (JP) 2006-09-26 US claimed
US-20030225223-A1 Dimerdiol derivatives and composition of matter including the dimerdiol derivatives CRODA JAPAN KK (JP) 2003-12-04 US claimed
US-7112706-B2 Dimerdiol derivatives and composition of matter including the dimerdiol derivatives CRODA JAPAN KK (JP) 2006-09-26 US disclosed
US-20030225223-A1 Dimerdiol derivatives and composition of matter including the dimerdiol derivatives CRODA JAPAN KK (JP) 2003-12-04 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-20030225223-A1 Dimerdiol derivatives and composition of matter including the dimerdiol derivatives DHCR24, DRD1, CTNND1 ALDH1A1 203/4885EPHX1 1054/4885ENPP2 3078/4885

“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.