SCHEMBL4573897

SCHEMBL4573897

CCOC(=O)c1cc(C(C)C)n(N)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 3/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3975569 0.85 TSHR (0.42) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL12851530 0.78 TSHR (0.47) TSHRALDH1A1MAPK1KDM4EHPGD
SCHEMBL12854715 0.75 TSHR (0.48) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL23732183 0.73 KDM4E (0.46) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL4574389 0.72 LMNA (0.44) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL26605789 0.70 CYP1A2 (0.42) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL14846531 0.69 ALDH1A1 (0.45) TSHRALDH1A1HSD17B10GAAKDM4E
SCHEMBL346578 0.68 TSHR (0.67) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL26072434 0.68 TSHR (0.47) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL14189823 0.68 RAB9A (0.46) TSHRALDH1A1HSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319084-B2 Catalysts containing N-pyrrolyl substituted nitrogen donors E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-15 US disclosed
US-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2006-08-10 US disclosed
US-20050054856-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY (US) 2005-03-10 US disclosed
US-6825356-B2 REMAINING DONOR ATOMS OF THE LIGAND ARE SELECTED FROM THE GROUP CONSISTING OF C, N, P, AS, O, S, AND SE EASTMAN CHEMICAL COMPANY 2004-11-30 US disclosed
US-20030225228-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY 2003-12-04 US disclosed
US-20030195110-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2003-10-16 US disclosed
US-6559091-B1 Metal complex ligated by a monodentate, bidentate, tridentate, or tetradentate ligand, wherein at least one of the donor atoms of the ligand is a nitrogen atom substituted by a 1-pyrrolyl or substituted 1- pyrrolyl group EASTMAN CHEMICAL COMPANY 2003-05-06 US disclosed
US-6545108-B1 Ti, Zr, Hf, Cr, Mo, W, V, Nb, or Ta complex of a monodentate dianionic ligand in which a nitrogen atom is substituted by a 1-pyrrolyl and the remaining donor atoms are N, P, As, O, S, or Se EASTMAN CHEMICAL COMPANY 2003-04-08 US disclosed
EP-1278784-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2003-01-29 EP disclosed
EP-1192189-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2002-04-03 EP disclosed
WO-2001083571-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2001-11-08 WO disclosed
WO-2000050470-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2000-08-31 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-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN TSHR 4856/4885ALDH1A1 3786/4885HSD17B10 2880/4885
US-20050054856-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN TSHR 4856/4885ALDH1A1 3786/4885HSD17B10 2880/4885

“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.