SCHEMBL6086402

SCHEMBL6086402

CC(C)(C)C1=CCC(C)(C)c2cc(OCc3ccccc3)c(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CCR5 P51681 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TLR9 Q9NR96 1/20 0.37
LMNA P02545 1/20 0.36
SLC6A4 P31645 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX5AP P20292 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 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
SCHEMBL6086042 0.85 RAB9A (0.41) RAB9ASMN1; SMN2PTPN1HTR2AHTR2C
SCHEMBL6283136 0.83 MAPT (0.35) RAB9ASMN1; SMN2HTR2AHTR2CHPGD
SCHEMBL6086949 0.82 CCR5 (0.40) RAB9ASMN1; SMN2PTPN1HTR2AHTR2C
SCHEMBL6281288 0.81 RXRA (0.31) KDM4EHPGDALDH1A1MAPTTDP1
SCHEMBL6087492 0.80 HTR2A (0.33) HTR2AHTR2CLMNAALDH1A1
SCHEMBL6477273 0.76 HTR2A (0.47) RAB9ASMN1; SMN2PTPN1HTR2AHTR2C
SCHEMBL6086237 0.74 POLB (0.44) MAPT
SCHEMBL6086244 0.74 POLB (0.42) MAPT
SCHEMBL12772153 0.72 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2PTPN1HTR2AHTR2C
SCHEMBL6086506 0.72 HTR7 (0.37) RAB9ASMN1; SMN2CCR5HPGDLMNA

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 1352/4885SMN1; SMN2 4512/4885PTPN1 708/4885
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 1352/4885SMN1; SMN2 4512/4885PTPN1 708/4885

“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.