SCHEMBL3877778

SCHEMBL3877778

CCCCC([C]=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.33
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 2/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL3885335 0.92 GPR84 (0.39) FDPS
SCHEMBL6988843 0.90 SHBG (0.39) METAP1TSHR
SCHEMBL7458138 0.84 SHBG (0.38) TSHR
SCHEMBL7457424 0.83 TSHR (0.38) TSHR
SCHEMBL7457530 0.83 TSHR (0.38) TSHR
SCHEMBL7458659 0.83 TSHR (0.38) TSHR
SCHEMBL7463334 0.83 TSHR (0.38) TSHR
SCHEMBL7453115 0.83 TSHR (0.38) TSHR
SCHEMBL7452808 0.83 TSHR (0.38) TSHR
SCHEMBL6589844 0.78 DNM1 (0.31) DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2009-01-29 US disclosed
EP-2010541-A2 TRANS-FUSED CHROMENOISOQUINOLINES, SYNTHESIS AND METHODS FOR USE Purdue Research Foundation (US) 2009-01-07 EP disclosed
WO-2007098462-A2 TRANS-FUSED CHROMENOISOQUINOLINES, SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2007-08-30 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-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE SLC6A3, HTR3B, SLC18A2 METAP1 3441/4885TSHR 38/4885SMN1; SMN2 3924/4885

“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.