SCHEMBL13613950

SCHEMBL13613950

CCOC(=O)C1=C(C)CC(C)(C)c2cc(-c3ccc(CC(=O)O)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.47
RXRB P28702 6/20 0.47
RXRG P48443 6/20 0.47
PDK2 Q15119 1/20 0.40
PTPN11 Q06124 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ABCC4 O15439 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
HTT P42858 1/20 0.38
CYP26A1 O43174 3/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PGR P06401 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37

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
SCHEMBL13613961 0.86 PDK2 (0.39) RXRARXRBRXRGPDK2LMNA
SCHEMBL4516928 0.77 RARB (0.39) PDK2CYP26A1RARARARBRARG
SCHEMBL4513828 0.76 GABRG2 (0.38) PDK2LMNARARARARBRARG
SCHEMBL4507831 0.76 RARA (0.38) CYP26A1RARARARBRARGCYP26B1
SCHEMBL4523905 0.75 GABRA1 (0.44) LMNACYP26A1RARARARBRARG
SCHEMBL13613913 0.71 RXRA (0.58) RXRARXRBRXRGPTPN11CYP26A1
SCHEMBL24862660 0.68 PGR (0.48) RXRARXRBRXRGLMNAGAA
SCHEMBL13613862 0.68 PDK2 (0.37) RXRARXRBRXRGPDK2CYP26A1
SCHEMBL481332 0.66 CA1 (0.61) LMNAGAAHTT
SCHEMBL6295539 0.65 ABCC4 (0.69) RXRARXRBRXRGABCC4LMNA

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
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 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-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 RXRA 351/4885RXRB 407/4885RXRG 335/4885

“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.