SCHEMBL6086033

SCHEMBL6086033

CCOC(=O)c1ccc(NC(C)c2cc3c(cc2OCc2ccccc2)C(C)(C)CC=C3C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.43
F2 P00734 3/20 0.41
F10 P00742 3/20 0.41
PRSS1 P07477 3/20 0.41
F7 P08709 3/20 0.41
PRSS2 P07478 2/20 0.41
F3 P13726 2/20 0.41
PRSS3 P35030 2/20 0.41
MAPT P10636 6/20 0.40
NAMPT P43490 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL6085515 0.92 PPIA (0.42) PPIAF2F10PRSS1F7
SCHEMBL6086650 0.92 POLB (0.44) PPIAF2F10PRSS1F7
SCHEMBL6086114 0.91 PPIA (0.41) PPIAF2F10PRSS1F7
SCHEMBL6086065 0.85 PPIA (0.46) PPIAMAPTNAMPTPOLBTHRB
SCHEMBL6085531 0.83 MAPT (0.39) MAPTNAMPTTHRBNPSR1KMT2A
SCHEMBL6085816 0.83 MAPT (0.34) PPIAF2F10PRSS1F7
SCHEMBL6086323 0.82 POLB (0.44) PPIAF2F10PRSS1F7
SCHEMBL6086027 0.82 PPIA (0.43) PPIAMAPTNAMPTPOLBTHRB
SCHEMBL6086244 0.81 POLB (0.42) PPIAF2F10PRSS1F7
SCHEMBL6086057 0.79 PPIA (0.43) PPIAMAPTNAMPTPOLBTHRB

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 PPIA 4765/4885F2 3576/4885F10 3387/4885
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 PPIA 4765/4885F2 3576/4885F10 3387/4885

“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.