SCHEMBL3407633

SCHEMBL3407633

COc1ccc(OC2CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC(=O)O)=C2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
ALDH1A1 P00352 6/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
RARA P10276 7/20 0.55
CYP26A1 O43174 4/20 0.55
RXRA P19793 6/20 0.53
RARB P10826 5/20 0.53
RARG P13631 5/20 0.53
PTGS1 P23219 3/20 0.53
RXRB P28702 3/20 0.53
RXRG P48443 3/20 0.53
RORC P51449 2/20 0.53
CYP3A4 P08684 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
MAPK1 P28482 2/20 0.53
HTR2B P41595 2/20 0.53
BLM P54132 2/20 0.53
HIF1A Q16665 2/20 0.53
ALOX15 P16050 2/20 0.53
NR4A1 P22736 1/20 0.53

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
SCHEMBL3407627 1.00 MAPT (0.65) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL1718771 0.93 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL1718768 0.93 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL1717617 0.89 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL1717620 0.89 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL10067414 0.88 MAPT (0.50) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL5077672 0.83 ALDH1A1 (0.74) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL4389193 0.83 ALDH1A1 (0.74) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL10067418 0.83 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2RARACYP26A1
SCHEMBL1717884 0.83 CYP26A1 (0.45) MAPTALDH1A1SMN1; 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 4 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 claimed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 US claimed
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 MAPT 4344/4885ALDH1A1 396/4885SMN1; 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.