SCHEMBL6087367

SCHEMBL6087367

CCOC(=O)c1ccc(NC(CC)c2cc3c(cc2C)C(C(C)(C)C)=CCC3(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
HPGD P15428 3/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.34
SLC2A1 P11166 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 2/20 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
SCHEMBL6086198 0.82 RAB9A (0.42) RAB9AHPGDRECQLMEN1KMT2A
SCHEMBL6086727 0.81 RAB9A (0.42) RAB9AHPGDRECQLMEN1KMT2A
SCHEMBL6086301 0.79 MEN1 (0.44) RAB9AHPGDRECQLMEN1KMT2A
SCHEMBL6087362 0.78 SCN5A (0.40) RAB9AHPGDRECQLMEN1KMT2A
SCHEMBL6294092 0.78 RARA (0.52) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL8025897 0.76 RXRA (0.43) HPGDRECQLMEN1KMT2AMAPK1
SCHEMBL6086114 0.76 PPIA (0.41) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL6087019 0.75 RXRA (0.50) RAB9AHPGDRECQLMAPTNPC1
SCHEMBL8025898 0.74 RARA (0.46) RAB9AHPGDMEN1KMT2AMAPT
SCHEMBL6087355 0.74 RXRA (0.52) RAB9AHPGDRECQLMAPTNPC1

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 6 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
EP-1265848-A2 AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-12-18 EP disclosed
WO-2001070668-A2 AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2001-09-27 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 (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 RAB9A 1352/4885HPGD 2572/4885RECQL 3059/4885
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 RAB9A 1352/4885HPGD 2572/4885RECQL 3059/4885

“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.