SCHEMBL6000447

SCHEMBL6000447

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)OCC)C(C)c4nc5ccccc5[nH]4)s3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PRMT5 O14744 3/20 0.37
FPR1 P21462 1/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 2/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR4A2 P43354 1/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5999256 0.92 PTPN2 (0.46) PTPN2PTPN1PRMT5FPR1ALOX5
SCHEMBL6386073 0.91 PTPN1 (0.40) PTPN2PTPN1FPR1ALOX5DHODH
SCHEMBL6000514 0.87 PTPN2 (0.41) PTPN2PTPN1FPR1PPARGPPARA
SCHEMBL6001108 0.83 PTPN2 (0.43) PTPN2PTPN1PRMT5FPR1PPARG
SCHEMBL5999730 0.82 PTPN1 (0.44) PTPN2PTPN1PRMT5FPR1PPARG
SCHEMBL6001020 0.81 PTPN2 (0.43) PTPN2PTPN1PRMT5ALOX5DHODH
SCHEMBL6000462 0.81 PTPN1 (0.46) PTPN2PTPN1FPR1ALOX5DHODH
Hydrochloric Acid SCHEMBL6000739 0.81 PTPN1 (0.45) PTPN2PTPN1FPR1ALOX5DHODH
SCHEMBL6000614 0.80 PTPN1 (0.51) PTPN2PTPN1PPARGPPARADHODH
Sulfuric Acid SCHEMBL6000131 0.79 PTPN1 (0.44) PTPN2PTPN1FPR1ALOX5DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTPN2 11/4885PTPN1 2/4885PRMT5 410/4885

“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.