SCHEMBL6325990

SCHEMBL6325990

CC(=O)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 1/20 0.67
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
BRD4 O60885 1/20 0.53
BRPF1 P55201 1/20 0.53
CREBBP Q92793 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.47

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
Pyrrole SCHEMBL9110324 0.90 CYP1A2 (0.54) CYP1A2CYP3A4NPSR1ALDH1A1MAPK1
SCHEMBL28146850 0.89 NPSR1 (0.56) CYP1A2CYP3A4NPSR1ALDH1A1MAPK1
SCHEMBL13983006 0.86 ALDH1A1 (0.63) CYP1A2CYP3A4NPSR1ALDH1A1MAPK1
SCHEMBL14236103 0.85 NPSR1 (0.70) CYP1A2CYP3A4NPSR1ALDH1A1MAPK1
SCHEMBL1627629 0.82 HPGD (0.76) CYP1A2ALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL6321766 0.82 CYP1A2 (0.58) CYP1A2CYP3A4NPSR1ALDH1A1MAPK1
SCHEMBL8352639 0.81 CYP1A2 (1.00) CYP1A2CYP3A4NPSR1ALDH1A1MAPK1
SCHEMBL13919303 0.81 IGF1R (0.61) CYP1A2CYP3A4NPSR1ALDH1A1MAPK1
SCHEMBL7258145 0.79 HPGD (0.76) CYP1A2ALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL1450411 0.77 HPGD (0.80) CYP1A2CYP3A4NPSR1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP claimed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP claimed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO claimed
US-6878786-B2 Process for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-04-12 US disclosed
US-6841501-B2 Catalyst system for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-01-11 US disclosed
EP-1173445-B1 ORGANOMETALLIC COMPOUND USEFUL AS COCATALYST FOR POLYMERIZING OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP disclosed
US-20040030153-A1 Process for the polymerization of olefins EQUISTAR CHEMICALS, LP 2004-02-12 US disclosed
US-20030228976-A1 Catalyst system for the polymerization of olefins RESCONI LUIGI (IT) 2003-12-11 US disclosed
US-6608224-B2 Useful as cocatalysts for polymerizing olefins BASELL POLYOLEFINE GMBH (DE) 2003-08-19 US disclosed
US-20020038036-A1 \"Catalyst system for the polymerization of olefins\ EQUISTAR CHEMICALS, LP 2002-03-28 US disclosed
EP-1173445-A1 ORGANOMETALLIC COMPOUND USEFUL AS COCATALYST FOR POLYMERIZING OLEFINS Basell Technology Company B.V. (NL) 2002-01-23 EP disclosed
WO-2001062764-A1 ORGANOMETALLIC COMPOUND USEFUL AS COCATALYST FOR POLYMERIZING OLEFINS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-08-30 WO disclosed
US-5242892-A With 5-aminolevulinic acid THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1993-09-07 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-20040030153-A1 Process for the polymerization of olefins MT-CO1, UQCRC1, MT-CO3 CYP1A2 523/4885CYP3A4 824/4885NPSR1 4137/4885

“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.