SCHEMBL3629757

SCHEMBL3629757

C[N+]([O-])=C1C=C(c2ccccn2)c2ccc(OCCCc3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.48
MAOB P27338 7/20 0.47
MAOA P21397 6/20 0.47
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3629756 1.00 PPARG (0.48) PPARGMAOBMAOACYP19A1CYP11B1
SCHEMBL3629761 1.00 PPARG (0.48) PPARGMAOBMAOACYP19A1CYP11B1
SCHEMBL3623726 0.85 PPARG (0.62) PPARGMAOBMAOA
SCHEMBL3623732 0.85 PPARG (0.62) PPARGMAOBMAOA
SCHEMBL3623730 0.85 PPARG (0.62) PPARGMAOBMAOA
SCHEMBL3567336 0.66 PTPN1 (0.62) PPARGMAOBMAOA
SCHEMBL13316082 0.66 PTPN1 (0.58) PPARGCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3628188 0.65 PPARG (1.00) PPARG
SCHEMBL3628186 0.65 PPARG (1.00) PPARG
SCHEMBL3628191 0.65 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185109-A1 Idene derivatives and process for the preparation thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-08-09 US claimed
EP-1740531-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-01-10 EP claimed
WO-2005100303-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-10-27 WO 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-20070185109-A1 Idene derivatives and process for the preparation thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-08-09 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-20070185109-A1 Idene derivatives and process for the preparation thereof INSR, PPARD, GPR119 PPARG 5/4885MAOB 3350/4885MAOA 3544/4885

“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.