SCHEMBL6317427

SCHEMBL6317427

O=C1C2=C(CCCC2)C(=O)N1CC1CC2(CCO1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6314482 0.77 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL6314432 0.72 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL24993960 0.65 PDK1 (0.31)
SCHEMBL11796510 0.61 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL18211735 0.61 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL24993962 0.61 PDK1 (0.35)
SCHEMBL24454459 0.57 ALDH1A1 (0.38) CYP2C9CYP2C19TSHRALDH1A1KMT2A
SCHEMBL17114041 0.57 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL10031631 0.56 LMNA (0.44) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL358695 0.56 KDM4E (0.44) KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 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 (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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA CYP1A2 1107/4885CYP2C9 3024/4885CYP2C19 2661/4885

“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.