SCHEMBL2016335

SCHEMBL2016335

Cc1ccc(CC(C)c2ccccc2O)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
POLB P06746 2/20 0.37
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 2/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2023255 0.87 TSHR (0.53) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL1841032 0.86 TRPA1 (0.38) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL2024847 0.81 TSHR (0.58) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL1954281 0.81 MAPT (0.42) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL188373 0.79 TSHR (0.64) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL30455902 0.79 TSHR (0.64) TSHRGABRA1GABRB2POLBMAPK1
SCHEMBL2019733 0.78 NR3C1 (0.34) NR3C1PGRNR3C2
SCHEMBL1954596 0.77 MAPT (0.49) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL1840470 0.75 TRPA1 (0.43) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL2022076 0.75 TSHR (0.63) TSHRGABRA1GABRB2POLBMAPK1

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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TSHR 2998/4885GABRA1 1573/4885GABRB2 1720/4885

“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.