SCHEMBL17138206

SCHEMBL17138206

CC=CCCCCOc1cccc(OCCCCC=CC)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
KCNA3 P22001 1/20 0.43
PLA2G4B P0C869 1/20 0.42
PRSS1 P07477 5/20 0.42
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL17138205 1.00 TSHR (0.45) TSHRKCNA3PLA2G4BPRSS1MAPK1
SCHEMBL17138173 0.94 MAPK1 (0.46) TSHRKCNA3MAPK1ALDH1A1CYP1A2
SCHEMBL17138175 0.94 MAPK1 (0.46) TSHRKCNA3MAPK1ALDH1A1CYP1A2
SCHEMBL13639157 0.87 KCNA3 (0.61) KCNA3ALDH1A1
SCHEMBL3659901 0.86 APP (0.47) TSHR
SCHEMBL3770972 0.86 PPARA (0.42) TSHRPRSS1MAPK1ALDH1A1
SCHEMBL3770965 0.86 APP (0.47) TSHR
SCHEMBL13639165 0.85 KCNA3 (0.59) KCNA3
SCHEMBL3659186 0.85 APP (0.46) TSHR
SCHEMBL3764400 0.85 PPARA (0.44) TSHRPRSS1ALDH1A1

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 TSHR 4026/4885KCNA3 819/4885PLA2G4B 2576/4885

“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.