SCHEMBL3414609

SCHEMBL3414609

CC(=O)OC[C@H]1O[C@@H](Oc2ccc(OC3CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)=C3C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RARA P10276 6/20 0.44
CYP26A1 O43174 1/20 0.44
RXRA P19793 5/20 0.41
RARB P10826 4/20 0.41
RARG P13631 4/20 0.41
PTGS1 P23219 3/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
RORC P51449 2/20 0.41
CYP3A4 P08684 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
MAPK1 P28482 2/20 0.41
HTR2B P41595 2/20 0.41
BLM P54132 2/20 0.41
HIF1A Q16665 2/20 0.41
LMNA P02545 2/20 0.41
NR4A1 P22736 1/20 0.41

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
SCHEMBL3414608 1.00 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL3414612 1.00 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL10067471 0.90 CYP26A1 (0.39) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL13252653 0.82 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2CYP26A1CYP3A4
SCHEMBL3411832 0.82 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL3411838 0.82 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL10067418 0.82 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL3411829 0.82 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL1718771 0.80 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL1718768 0.80 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2RARACYP26A1

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
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US disclosed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 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-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same CBR3, CBR1, DECR1 ALDH1A1 396/4885MAPT 4344/4885SMN1; SMN2 2880/4885

“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.