SCHEMBL6153836

SCHEMBL6153836

CCOC(=O)CCc1cccc2c1OCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.51
CYP4A11 Q02928 3/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
DRD2 P14416 1/20 0.38
PTGS2 P35354 3/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GSK3B P49841 1/20 0.37
CDYL Q9Y232 1/20 0.37
NLRP3 Q96P20 1/20 0.36
MAPT P10636 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL31111003 0.83 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1GAADRD2
SCHEMBL6152870 0.82 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1GAAPTGS2
SCHEMBL31110728 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1GAADRD2
SCHEMBL31111112 0.80 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1GAADRD2
SCHEMBL31111257 0.79 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1GAADRD2
SCHEMBL6977880 0.78 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL31110697 0.77 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1GAADRD2
SCHEMBL31111166 0.77 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1GAADRD2
SCHEMBL31111061 0.77 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1GAADRD2
SCHEMBL8481900 0.76 MTNR1A (0.57) CYP4F2CYP4A11ALDH1A1GAA

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 CYP4F2 53/4885CYP4A11 304/4885ALDH1A1 85/4885

“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.