SCHEMBL18168693

SCHEMBL18168693

C/C=C/C=C/C(C(=O)OC)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
CA14 Q9ULX7 1/20 0.31
CNR2 P34972 3/20 0.30
CNR1 P21554 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL18168695 1.00 SMN1; SMN2 (0.36) SMN1; SMN2CA14CNR2CNR1PPARG
SCHEMBL8666640 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CA14
SCHEMBL8666638 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CA14
SCHEMBL14923139 0.77 SMN1; SMN2 (0.36) SMN1; SMN2CA14
SCHEMBL18168718 0.73 GRIK1 (0.35)
SCHEMBL11119968 0.73 GRIK1 (0.35)
SCHEMBL8666643 0.73 SMN1; SMN2 (0.41) SMN1; SMN2CA14
SCHEMBL8669765 0.71 ALDH1A1 (0.32)
SCHEMBL27997196 0.71 SMN1; SMN2 (0.39) SMN1; SMN2CA14
SCHEMBL27543338 0.71 SMN1; SMN2 (0.39) SMN1; SMN2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311746-A1 METHOD OF PRODUCING ADIPIC ACID OR AT LEAST A RESULTANT PRODUCT THEREOF BASF SE (DE) 2016-10-27 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-20160311746-A1 METHOD OF PRODUCING ADIPIC ACID OR AT LEAST A RESULTANT PRODUCT THEREOF ADIPOR1, FABP4, LIPA SMN1; SMN2 4324/4885CA14 105/4885CNR2 2994/4885

“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.