SCHEMBL17138170

SCHEMBL17138170

CCC(C)COc1cccc(OCC(C)CC)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.60
FFAR1 O14842 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
TLR8 Q9NR97 1/20 0.44
MCHR1 Q99705 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL10154613 0.90 ADRB2 (0.56) GPBAR1ADRB2ADRB1LMNA
SCHEMBL1581657 0.87 GPBAR1 (0.53) GPBAR1FFAR1TSHRMAPK1ADRB2
SCHEMBL4970580 0.87 MAOB (0.50) GPBAR1FFAR1LMNAKDM4E
SCHEMBL11162901 0.87 GPBAR1 (0.50) GPBAR1FFAR1TSHRMAPK1ADRB2
SCHEMBL19122314 0.87 KDM4E (0.56) GPBAR1FFAR1TSHRLMNAKDM4E
SCHEMBL2500159 0.85 FFAR1 (0.61) GPBAR1FFAR1MTNR1AMTNR1BADRB2
SCHEMBL28294103 0.85 FFAR1 (0.61) GPBAR1FFAR1MTNR1AMTNR1BADRB2
SCHEMBL8109516 0.84 GPBAR1 (0.48) GPBAR1FFAR1TSHRMAPK1HIF1A
SCHEMBL19291755 0.84 GPBAR1 (0.48) GPBAR1FFAR1HIF1AGRM2
SCHEMBL12094232 0.84 GPBAR1 (0.48) GPBAR1FFAR1TSHRTLR8MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 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 (1 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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 GPBAR1 3596/4885FFAR1 214/4885TSHR 4026/4885

“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.