SCHEMBL6086871

SCHEMBL6086871

CCCOc1cc2c(cc1Nc1ccc(C(=O)OCC)cc1)C(C(C)C)=CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
RAB9A P51151 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
THRB P10828 2/20 0.38
SLC2A1 P11166 1/20 0.38
MAPT P10636 6/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
NR4A1 P22736 1/20 0.37
SMAD3 P84022 1/20 0.37
HKDC1 Q2TB90 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
SCHEMBL6086449 0.96 PKM (0.39) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6086144 0.94 TSHR (0.38) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6087378 0.94 MAPT (0.41) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6085982 0.90 MAPT (0.46) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6086656 0.89 MAPT (0.47) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6086057 0.88 PPIA (0.43) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6085542 0.88 HPGD (0.41) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6086862 0.87 RAB9A (0.42) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6087328 0.87 KDM4E (0.36) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL6086355 0.85 RAB9A (0.42) KDM4EALDH1A1HPGDRAB9AKMT2A

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 KDM4E 2140/4885ALDH1A1 242/4885HPGD 2572/4885
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 KDM4E 2140/4885ALDH1A1 242/4885HPGD 2572/4885

“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.