SCHEMBL1406707

SCHEMBL1406707

CC(=O)c1cc(-c2ccc(C)cc2)c(OCC(C)C)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HIF1A Q16665 1/20 0.36
MAOB P27338 2/20 0.34
RXRA P19793 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
XDH P47989 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
ESRRA P11474 1/20 0.32
HSD17B1 P14061 1/20 0.32
RARA P10276 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL1406758 0.88 EGFR (0.40) AKR1C3AKR1C2ALDH1A1MAPTTSHR
SCHEMBL1406442 0.81 MAOB (0.45) SYKALDH1A1MAOBRXRAHTT
SCHEMBL1406684 0.80 MAPT (0.47) ALDH1A1MAOBMAPTTP53XDH
SCHEMBL1406683 0.80 MAPT (0.47) ALDH1A1MAOBMAPTTP53XDH
SCHEMBL5049354 0.75 PTPN1 (0.38) AKR1C3AKR1C2MAPTMRGPRX4NR1H4
SCHEMBL5049355 0.75 PTPN1 (0.38) AKR1C3AKR1C2MAPTMRGPRX4NR1H4
SCHEMBL1406509 0.74 RARA (0.39) AKR1C3AKR1C2RXRAMAPTTP53
SCHEMBL1406943 0.72 XDH (0.36) AKR1C3AKR1C2RXRAXDHRARA
SCHEMBL1406772 0.70 LMNA (0.56) ALDH1A1RXRAMAPTTSHRMRGPRX4
SCHEMBL14204866 0.70 ESRRA (0.40) ESRRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP disclosed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 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-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG SYK 3375/4885AKR1C3 1403/4885AKR1C2 1063/4885

“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.