SCHEMBL3628186

SCHEMBL3628186

C/[N+]([O-])=C1\C=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 1.00
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 1/20 0.48

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
SCHEMBL3628191 1.00 PPARG (1.00) PPARGNPC1RAB9AADORA3ADORA2A
SCHEMBL3628188 1.00 PPARG (1.00) PPARGNPC1RAB9AADORA3ADORA2A
SCHEMBL3623730 0.77 PPARG (0.62) PPARGPTPN1
SCHEMBL3623726 0.77 PPARG (0.62) PPARGPTPN1
SCHEMBL3623732 0.77 PPARG (0.62) PPARGPTPN1
SCHEMBL13316082 0.75 PTPN1 (0.58) PPARGNPC1RAB9APTPN1KDM4E
SCHEMBL13316140 0.74 PPARG (1.00) PPARGNPC1RAB9AKDM4EALDH1A1
SCHEMBL13316142 0.74 PPARG (1.00) PPARGNPC1RAB9AKDM4EALDH1A1
SCHEMBL11898739 0.73 NPC1 (0.97) NPC1RAB9ALTA4H
SCHEMBL13316065 0.73 PPARG (1.00) PPARG

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-7741323-B2 Indene derivatives and process for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-22 US claimed
US-20070185109-A1 Idene derivatives and process for the preparation thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-08-09 US claimed
US-7741323-B2 Indene derivatives and process for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-22 US disclosed
US-7741323-B2 Indene derivatives and process for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-22 US disclosed
US-20070185109-A1 Idene derivatives and process for the preparation thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-08-09 US disclosed
US-20070185109-A1 Idene derivatives and process for the preparation thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-08-09 US disclosed
EP-1740531-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-01-10 EP disclosed
WO-2005100303-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-10-27 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-20070185109-A1 Idene derivatives and process for the preparation thereof INSR, PPARD, GPR119 PPARG 5/4885NPC1 469/4885RAB9A 2389/4885

“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.