SCHEMBL6756512

SCHEMBL6756512

CC(C)c1cc(Br)cc2c1OCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 12/20 0.33
PTGS2 P35354 12/20 0.33
ALOX5 P09917 9/20 0.33
NOTUM Q6P988 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
SCHEMBL13423098 0.83 GABRA1 (0.39) GABRA1GABRB1PTGS1PTGS2
SCHEMBL6757728 0.81 PTGS2 (0.38) PTGS1PTGS2ALOX5
SCHEMBL7568789 0.79 PTGS1 (0.33) PTGS1PTGS2ALOX5NOTUM
SCHEMBL4507508 0.79 GABRA1 (0.38) GABRA1GABRB1
SCHEMBL2489432 0.78 AHR (0.38) PTGS1PTGS2ALOX5NOTUM
SCHEMBL672713 0.77 PTGS2 (0.35) PTGS1PTGS2ALOX5NOTUM
SCHEMBL6757719 0.76 PTGS2 (0.34) PTGS1PTGS2ALOX5
SCHEMBL7562111 0.76 PTGS1 (0.42) PTGS1PTGS2ALOX5
SCHEMBL6155821 0.75 PTGS2 (0.34) PTGS1PTGS2ALOX5
SCHEMBL10440200 0.75 NR3C1 (0.35) PTGS1PTGS2ALOX5NOTUM

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 5 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
EP-1228055-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
WO-2001012618-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
US-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 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 GABRA1 271/4885GABRB1 309/4885PTGS1 973/4885

“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.