SCHEMBL888053

SCHEMBL888053

C=CCC12CCCC=C1C(=O)CC2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.31
GSTP1 P09211 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
SCHEMBL887950 0.71 CYP19A1 (0.33) CYP19A1
SCHEMBL437249 0.67 MEN1 (0.35)
SCHEMBL7936022 0.65 POLB (0.31)
SCHEMBL16193295 0.61 CYP19A1 (0.42) CYP19A1GSTP1
SCHEMBL6253261 0.60 CYP19A1 (0.35) CYP19A1
SCHEMBL6246587 0.59 GRIN2D (0.35) CYP19A1
SCHEMBL3267931 0.57 GSTP1 (0.45) GSTP1
SCHEMBL18668717 0.57 DPP4 (0.57)
SCHEMBL3397061 0.57 GSTP1 (0.30) GSTP1
SCHEMBL11561765 0.57 MMP9 (0.35) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010281-A1 ANTIMICROBIAL AND ANTITUBERCULAR COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-01-12 US disclosed
US-20120010281-A1 ANTIMICROBIAL AND ANTITUBERCULAR COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-01-12 US disclosed
US-20120010281-A1 ANTIMICROBIAL AND ANTITUBERCULAR COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-01-12 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-20120010281-A1 ANTIMICROBIAL AND ANTITUBERCULAR COMPOUNDS TBK1, TBCD, TBKBP1 CYP19A1 4879/4885GSTP1 1399/4885

“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.