SCHEMBL6157408

SCHEMBL6157408

CC1(C)COc2ccc(C3CC3CO)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
RARA P10276 2/20 0.41
NOTUM Q6P988 2/20 0.39
RXRA P19793 1/20 0.36
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SLC5A1 P13866 3/20 0.31
SLC5A2 P31639 3/20 0.31
ACACB O00763 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL6156126 1.00 PTGS1 (0.43) PTGS1PTGS2RARBRARGRARA
SCHEMBL8365634 0.77 RXRA (0.42) RARBRARGRARARXRAHTR2A
SCHEMBL8362259 0.77 RXRA (0.42) RARBRARGRARARXRAHTR2A
SCHEMBL8362255 0.77 RXRA (0.42) RARBRARGRARARXRAHTR2A
SCHEMBL6758724 0.75 RARB (0.43) PTGS1PTGS2RARBRARGRARA
SCHEMBL7870688 0.73 RARB (0.41) PTGS1PTGS2RARBRARGRARA
SCHEMBL3550976 0.71 RARB (0.47) PTGS1PTGS2RARBRARGRARA
SCHEMBL11456251 0.71 PTGS2 (0.43) PTGS1PTGS2RARBRARGRARA
SCHEMBL4738059 0.70 NOTUM (0.42) PTGS1PTGS2RARBRARGRARA
SCHEMBL6756499 0.69 PTGS1 (0.45) PTGS1PTGS2RARBRARGRARA

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 1241/4885RARB 4/4885

“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.