SCHEMBL6086449

SCHEMBL6086449

CCCCOc1cc2c(cc1Nc1ccc(C(=O)OCC)cc1)C(C(C)C)=CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
SLC2A1 P11166 2/20 0.39
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 7/20 0.38
TP53 P04637 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
EGFR P00533 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
SCHEMBL6086144 0.97 TSHR (0.38) PKMSLC2A1KDM4EHPGDALDH1A1
SCHEMBL6086871 0.96 KDM4E (0.39) SLC2A1KDM4EHPGDALDH1A1RAB9A
SCHEMBL6087378 0.93 MAPT (0.41) SLC2A1KDM4EHPGDALDH1A1RAB9A
SCHEMBL6085982 0.89 MAPT (0.46) SLC2A1KDM4EHPGDALDH1A1RAB9A
SCHEMBL6086656 0.89 MAPT (0.47) SLC2A1KDM4EHPGDALDH1A1RAB9A
SCHEMBL6085542 0.87 HPGD (0.41) SLC2A1KDM4EHPGDALDH1A1RAB9A
SCHEMBL6086057 0.87 PPIA (0.43) KDM4EHPGDALDH1A1RAB9ANPC1
SCHEMBL6086862 0.86 RAB9A (0.42) SLC2A1KDM4EHPGDALDH1A1RAB9A
SCHEMBL6087328 0.86 KDM4E (0.36) PKMSLC2A1KDM4EHPGDALDH1A1
SCHEMBL6085692 0.86 TSHR (0.41) PKMSLC2A1KDM4EHPGDALDH1A1

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-7026487-B2 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, a pyridyl group and an alkyl group, having retinoid-like biological activity ALLERGAN, INC. (US) 2006-04-11 US disclosed
US-20040097733-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity BEARD RICHARD L (US) 2004-05-20 US disclosed
US-20030166932-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity ALLERGAN SALES, INC. 2003-09-04 US disclosed
US-6613917-B1 Retinoid agonist, antagonist or negative hormone-like biological activity ALLERGAN, INC. 2003-09-02 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 (2 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-20030166932-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity NR4A1, NR2E3, NR0B1 PKM 4696/4885SLC2A1 4772/4885KDM4E 2140/4885
US-20040097733-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity NR4A1, NR2E3, NR0B1 PKM 4696/4885SLC2A1 4772/4885KDM4E 2140/4885

“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.