SCHEMBL17138204

SCHEMBL17138204

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.44
CYP3A4 P08684 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
LMNA P02545 2/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HPGD P15428 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
Ammonia Solution, Strong SCHEMBL3967918 0.92 TP53 (0.52) TSHRMAPK1HIF1AKDM4ETP53
SCHEMBL4568778 0.91 KMT2A (0.50) TSHRMAPK1HIF1AKDM4EGPBAR1
SCHEMBL17138148 0.88 HIF1A (0.47) TSHRMAPK1HIF1AKDM4ETP53
SCHEMBL29818970 0.88 TAAR1 (0.48) TSHRMAPK1HIF1AKDM4ETP53
SCHEMBL2205973 0.88 TAAR1 (0.48) TSHRMAPK1HIF1AKDM4ETP53
SCHEMBL4568807 0.88 GPBAR1 (0.52) TSHRMAPK1HIF1AGPBAR1MTNR1A
SCHEMBL4568788 0.88 GPBAR1 (0.52) TSHRMAPK1HIF1AGPBAR1MTNR1A
SCHEMBL2207651 0.87 APP (0.39) TSHRMAPK1HIF1AKDM4ETP53
SCHEMBL2209641 0.87 MAOB (0.51) KDM4ELMNA
SCHEMBL27669995 0.87 CYP3A4 (0.65) TSHRMAPK1HIF1ATP53CYP3A4

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 4026/4885MAPK1 1198/4885HIF1A 375/4885

“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.