SCHEMBL6154300

SCHEMBL6154300

CCOC(=O)/C=C/c1cc(Br)cc2c1OCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 2/20 0.38
AKT1 P31749 1/20 0.38
TTR P02766 1/20 0.38
DPP4 P27487 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP3A4 P08684 2/20 0.36
ESR1 P03372 1/20 0.36
ALOX5 P09917 4/20 0.36
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL6154304 1.00 CNKSR1 (0.38) CNKSR1AKT1TTRDPP4CA12
SCHEMBL6153467 0.73 ERN1 (0.37) ALOX5PTGS1PTGS2
SCHEMBL16303520 0.70 CNKSR1 (0.48) CNKSR1TTRDPP4CA12CA1
SCHEMBL18260176 0.70 CA12 (0.51) CNKSR1TTRDPP4CA12CA1
SCHEMBL7879831 0.69 RARG (0.52) TTRDPP4CA12CA1CA2
SCHEMBL7879827 0.69 RARG (0.52) TTRDPP4CA12CA1CA2
SCHEMBL2537052 0.69 TTR (0.58) CNKSR1TTRDPP4CA12CA1
SCHEMBL28281653 0.69 TTR (0.58) CNKSR1TTRDPP4CA12CA1
SCHEMBL6153873 0.69 PTGS2 (0.40) ALOX5PTGS1PTGS2
SCHEMBL6495473 0.69 CYP3A4 (0.59) CNKSR1TTRDPP4CA12CA1

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 CNKSR1 2192/4885AKT1 3923/4885TTR 1760/4885

“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.