SCHEMBL6758656

SCHEMBL6758656

CC(C)(C)c1cc([C@@]2(C)C[C@@H]2C=O)cc2c1OCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.47
PTGS1 P23219 18/20 0.47
ALOX5 P09917 12/20 0.46

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
SCHEMBL6870814 0.83 RXRA (0.32) PTGS2PTGS1ALOX5
SCHEMBL6158663 0.83 RXRA (0.32) PTGS2PTGS1ALOX5
SCHEMBL4612808 0.82 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL6755892 0.82 RXRA (0.31) PTGS2PTGS1ALOX5
SCHEMBL6756526 0.81 PTGS2 (0.34) PTGS2PTGS1ALOX5
SCHEMBL6758648 0.81 PTGS2 (0.33) PTGS2PTGS1ALOX5
SCHEMBL4613161 0.80 PTGS2 (0.50) PTGS2PTGS1ALOX5
SCHEMBL6761070 0.80 RXRA (0.30) PTGS2PTGS1ALOX5
SCHEMBL4612261 0.78 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL6153090 0.77 PTGS2 (0.48) PTGS2PTGS1ALOX5

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-6720423-B2 SKIN RELATED DISEASES; PROMOTE THE EXPRESSION OF OR BIND TO RECEPTORS BELONGING TO THE STEROID OR THYROID RECEPTOR SUPERFAMILY. ALLERGAN, INC. 2004-04-13 US disclosed
US-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN, INC. 2003-11-20 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-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors RXRB, RXRA, RXRG PTGS2 1241/4885PTGS1 973/4885ALOX5 222/4885

“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.