SCHEMBL3345529

SCHEMBL3345529

C=CCC(=O)O.C=COC(=O)c1cccc(C(C)(C)C)c1C/C=C/C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.31

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
Acetic Acid SCHEMBL12469814 0.91 NR1H4 (0.31) NR1H4
SCHEMBL380175 0.89
Fumaric Acid SCHEMBL7563314 0.75 SMN1; SMN2 (0.40)
Fumaric Acid SCHEMBL7563318 0.75 SMN1; SMN2 (0.40)
SCHEMBL9769680 0.71 NR1H4 (0.39) NR1H4
SCHEMBL246897 0.70 TDP1 (0.40)
SCHEMBL7943458 0.70 GLRA3 (0.37) NR1H4
Acetic Acid SCHEMBL8519656 0.70 TDP1 (0.40)
SCHEMBL7943455 0.70 CYP3A4 (0.37) NR1H4
SCHEMBL247553 0.69 SLC7A5 (0.31)

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-20100236569-A1 COSMETIC COMPOSITION COMPRISING A BRANCHED SULPHONIC POLYESTER AND A THICKENER AND USES IN HAIR STYLING L'OREAL S.A. (FR) 2010-09-23 US disclosed
US-20100158848-A1 COSMETIC COMPOSITION COMPRISING A BRANCHED SULPHONIC POLYESTER AND A SURFACTANT AND USES IN HAIR STYLING L'OREAL S.A (FR) 2010-06-24 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 (2 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-20100158848-A1 COSMETIC COMPOSITION COMPRISING A BRANCHED SULPHONIC POLYESTER AND A SURFACTANT AND USES IN HAIR STYLING SGMS1, SUCLG1, POLR1C NR1H4 2847/4885
US-20100236569-A1 COSMETIC COMPOSITION COMPRISING A BRANCHED SULPHONIC POLYESTER AND A THICKENER AND USES IN HAIR STYLING SUCLG1, DPM1, FUT6 NR1H4 4322/4885

“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.