SCHEMBL6186833

SCHEMBL6186833

C=CCC1(CC=C)COc2ccc([C@@]3(C)C[C@@H]3CO)cc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SLC6A2 P23975 5/20 0.31
SLC6A4 P31645 5/20 0.31
SLC6A3 Q01959 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
SCHEMBL6880036 0.81 RXRA (0.32) PTGS1PTGS2
SCHEMBL6757746 0.81 PTGS1 (0.45) PTGS1PTGS2
SCHEMBL6756499 0.81 PTGS1 (0.45) PTGS1PTGS2
SCHEMBL8475418 0.74 RARA (0.42) PTGS1PTGS2SLC6A2SLC6A4
SCHEMBL6156641 0.70 BACE1 (0.41)
SCHEMBL6864963 0.70 RARB (0.40) PTGS1PTGS2
SCHEMBL6156019 0.70
SCHEMBL8332791 0.69 RXRA (0.48)
SCHEMBL8606352 0.69 RXRA (0.48)
SCHEMBL21017967 0.69 RXRA (0.48)

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
EP-1499604-A1 DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan, Inc. (US) 2005-01-26 EP disclosed
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
WO-2003093257-A1 DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN, INC. (US) 2003-11-13 WO 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 PTGS1 973/4885PTGS2 1241/4885SLC6A2 4451/4885

“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.