SCHEMBL17138141

SCHEMBL17138141

CCC/C=C/CCOc1cccc(OCC/C=C/CCC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
GPBAR1 Q8TDU6 3/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
PPARA Q07869 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL17138142 1.00 TSHR (0.46) TSHRKMT2AMAPK1CYP1A2CYP2D6
SCHEMBL3775414 0.85 MAOB (0.43) TSHRPPARA
SCHEMBL3661681 0.85 APP (0.48) TSHRKMT2AMAPK1CYP1A2CYP2D6
SCHEMBL3775410 0.85 APP (0.48) TSHRKMT2AMAPK1CYP1A2CYP2D6
SCHEMBL17138207 0.85 AOC3 (0.44) TSHRKMT2AMAPK1CYP1A2CYP2D6
SCHEMBL17138209 0.85 AOC3 (0.44) TSHRKMT2AMAPK1CYP1A2CYP2D6
SCHEMBL17138216 0.79 MAPK1 (0.49) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL17138217 0.79 MAPK1 (0.49) TSHRMAPK1CYP1A2CYP2D6CYP2C19
1,3-Dipropoxybenzene SCHEMBL73716 0.79 KMT2A (0.63) TSHRKMT2AMAPK1CYP1A2CYP2D6
SCHEMBL25264767 0.79 DRD2 (0.49) KMT2AMAPK1

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 4026/4885KMT2A 580/4885MAPK1 1198/4885

“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.