SCHEMBL17138127

SCHEMBL17138127

CCCCC(CC)COc1cccc(OCC(CC)CCCC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
ALDH1A1 P00352 4/20 0.49
CA2 P00918 1/20 0.49
HIF1A Q16665 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 4/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 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
Ethylene SCHEMBL27903282 0.92 ALDH1A1 (0.43) CYP3A4ALDH1A1CA2HIF1ALMNA
SCHEMBL18632545 0.92 ALDH1A1 (0.46) CYP3A4ALDH1A1CA2HIF1ALMNA
SCHEMBL5147059 0.92 ALDH1A1 (0.46) CYP3A4ALDH1A1CA2HIF1ALMNA
SCHEMBL12565554 0.91 ALOX5 (0.47) CYP3A4ALDH1A1CA2LMNATSHR
SCHEMBL17138148 0.89 HIF1A (0.47) CYP3A4HIF1ATSHRMAPK1
SCHEMBL5147063 0.89 ALDH1A1 (0.43) CYP3A4ALDH1A1CA2HIF1ALMNA
SCHEMBL15881143 0.89 TSHR (0.59) CYP3A4ALDH1A1CA2LMNATSHR
SCHEMBL30718028 0.89 ALDH1A1 (0.47) CYP3A4ALDH1A1CA2HIF1ALMNA
SCHEMBL5145683 0.89 ALDH1A1 (0.47) CYP3A4ALDH1A1CA2LMNATSHR
SCHEMBL5145686 0.89 ALDH1A1 (0.47) CYP3A4ALDH1A1CA2HIF1ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
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 CYP3A4 1037/4885ALDH1A1 133/4885CA2 456/4885

“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.