SCHEMBL6698423

SCHEMBL6698423

CC(C)CNCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
EPHX1 P07099 1/20 0.38
PKM P14618 1/20 0.37
ANPEP P15144 2/20 0.36
ERAP2 Q6P179 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL18232436 1.00 HRH4 (0.42) HRH4HRH3EPHX1PKMANPEP
SCHEMBL6693280 0.98 HRH4 (0.41) HRH4HRH3EPHX1PKMANPEP
SCHEMBL6692244 0.90
SCHEMBL24379824 0.87 HRH4 (0.48) HRH4HRH3EPHX1PKMANPEP
SCHEMBL5298781 0.87 HRH4 (0.48) HRH4HRH3EPHX1PKMANPEP
SCHEMBL2483497 0.87 HRH4 (0.48) HRH4HRH3EPHX1PKMANPEP
SCHEMBL9624660 0.84 HRH4 (0.47) HRH4HRH3EPHX1PKMANPEP
SCHEMBL9494047 0.84 KMT2A (0.41) PKMANPEPERAP2LMNAALDH1A1
SCHEMBL20996688 0.81 KMT2A (0.41) PKMANPEPERAP2LMNAALDH1A1
SCHEMBL605994 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004533516-A 2004-11-04 JP claimed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US claimed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP claimed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO claimed
US-10899754-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-26 US disclosed
US-20200115374-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-16 US disclosed
EP-3558978-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-30 EP disclosed
WO-2018116107-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-28 WO disclosed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US disclosed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP disclosed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO 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 (2 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-20200115374-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT HRH4 2848/4885HRH3 2321/4885EPHX1 1936/4885
US-10899754-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT HRH4 2848/4885HRH3 2321/4885EPHX1 1936/4885

“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.