SCHEMBL17138148

SCHEMBL17138148

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39

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
SCHEMBL17138127 0.89 CYP3A4 (0.49) HIF1ATSHRMAPK1CYP3A4
SCHEMBL17031447 0.89 GPBAR1 (0.48) HIF1ATSHRMAPK1GPBAR1MTNR1A
SCHEMBL17031446 0.89 GPBAR1 (0.48) HIF1ATSHRMAPK1GPBAR1MTNR1A
SCHEMBL17138204 0.88 TSHR (0.49) HIF1ATSHRMAPK1KDM4EGPBAR1
SCHEMBL28029167 0.87 LMNA (0.50) CYP3A4MTNR1AMTNR1B
SCHEMBL4568773 0.86 KMT2A (0.49) HIF1ATSHRMAPK1KDM4EGPBAR1
SCHEMBL17032380 0.85 GPBAR1 (0.40) HIF1ATSHRMAPK1GPBAR1MTNR1A
SCHEMBL4569083 0.85 GPBAR1 (0.40) HIF1ATSHRMAPK1GPBAR1MTNR1A
SCHEMBL11993596 0.85 MAPK1 (0.46) HIF1ATSHRMAPK1GPBAR1TP53
SCHEMBL20318730 0.85 PPARA (0.49)

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 HIF1A 375/4885TSHR 4026/4885MAPK1 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.