SCHEMBL12372943

SCHEMBL12372943

Cc1cc(C)c(CC(C)(C)C)cc1CO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KLF10 Q13118 1/20 0.34
ESR1 P03372 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
SCHEMBL9685024 0.83 SHBG (0.50) SHBGPGK1PGK2CYP2D6CYP2C9
SCHEMBL394846 0.76 SHBG (0.48) SHBGPGK1PGK2HIF1AHSD17B10
SCHEMBL23049664 0.76 CYP2C9 (0.38) SHBGCYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL5097086 0.75 SHBG (0.52) SHBGPGK1PGK2HIF1AHSD17B10
SCHEMBL24226063 0.75 ESR1 (0.47) SHBGHSD17B10KLF10ESR1
SCHEMBL17013416 0.74 ESR1 (0.45) SHBGHSD17B10KLF10ESR1
SCHEMBL26038933 0.71 ALDH1A1 (0.46) HIF1AHSD17B10
SCHEMBL28472333 0.70 SHBG (0.48) SHBGPGK1PGK2CYP2D6CYP2C9
SCHEMBL5075167 0.70 SHBG (0.54) SHBGPGK1PGK2CYP2D6CYP2C9
SCHEMBL25491039 0.70 ALDH1A1 (0.39)

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-20110207741-A1 Activation of the Renin-Angiotensin System (RAS) and Sudden Cardiac Death THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-08-25 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-20110207741-A1 Activation of the Renin-Angiotensin System (RAS) and Sudden Cardiac Death GJA1, RASGRP1, RASGRP3 SHBG 3947/4885PGK1 2635/4885PGK2 3171/4885

“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.