SCHEMBL6086103

SCHEMBL6086103

COc1ccc(C(C)(C)CCC(=O)O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
FFAR2 O15552 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
ESR2 Q92731 1/20 0.44
CHEK1 O14757 1/20 0.41
FYN P06241 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
GRK5 P34947 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL6535890 0.84 SLC13A5 (0.44) FFAR1FFAR2FFAR4ALDH1A1LMNA
SCHEMBL6086541 0.84 CNR1 (0.47) ALDH1A1KDM4ECNR1CNR2ESR1
SCHEMBL6905585 0.81 CYP19A1 (0.44) KDM4ECNR1CNR2ESR1VDR
SCHEMBL8090992 0.78 SLC13A5 (0.44) FFAR1FFAR2FFAR4ALDH1A1LMNA
SCHEMBL7825959 0.78 NPC1 (0.50) FFAR1ALDH1A1LMNAKDM4EESR1
SCHEMBL6828554 0.77 CNR1 (0.39) ALDH1A1KDM4ECNR1CNR2VDR
SCHEMBL3753644 0.76 AKR1C3 (0.49) FFAR1FFAR2FFAR4LMNAKDM4E
SCHEMBL6998994 0.75 ALDH1A1 (0.53) FFAR1ALDH1A1CNR1CNR2ESR1
SCHEMBL8579692 0.75 VDR (0.44) ALDH1A1LMNAKDM4ECNR1CNR2
SCHEMBL253549 0.74 CYP19A1 (0.43) FFAR1FFAR2FFAR4KDM4ECNR1

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 FFAR1 224/4885FFAR2 453/4885FFAR4 360/4885
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 FFAR1 224/4885FFAR2 453/4885FFAR4 360/4885

“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.