SCHEMBL6085508

SCHEMBL6085508

CCOC(=O)c1ccc(NCCc2cc3c(cc2OCc2ccccc2)C(C)(C)CC=C3C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.41
MAPT P10636 8/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
ICMT O60725 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 2/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ABL1 P00519 1/20 0.38
MAPK1 P28482 1/20 0.38
RIN1 Q13671 1/20 0.38
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL6086318 0.91 POLB (0.44) PPIAMAPTPOLBTHRBMEN1
SCHEMBL6085525 0.91 KMT2A (0.38) MAPTTHRBICMTALDH1A1MEN1
SCHEMBL6085813 0.91 MAPT (0.35) PPIAMAPTPOLBICMTALDH1A1
SCHEMBL6086027 0.91 PPIA (0.43) PPIAMAPTPOLBTHRBICMT
SCHEMBL6087287 0.88 SCN5A (0.39) MAPTICMTALDH1A1MEN1KMT2A
SCHEMBL6086110 0.88 PPIA (0.41) PPIAMAPTPOLBTHRBICMT
SCHEMBL6086057 0.86 PPIA (0.43) PPIAMAPTPOLBTHRBNAMPT
SCHEMBL6089235 0.84 HNF4A (0.42) MAPTPOLBTHRBSMN1; SMN2
SCHEMBL6085515 0.84 PPIA (0.42) PPIAMAPTPOLBTHRBNAMPT
SCHEMBL6086195 0.83 RXRA (0.38) MAPTPOLBTHRBMEN1KMT2A

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 PPIA 4765/4885MAPT 3421/4885POLB 3117/4885
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 4765/4885MAPT 3421/4885POLB 3117/4885

“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.