SCHEMBL2164286

SCHEMBL2164286

CCCCCCCCOC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34
P2RY10 O00398 3/20 0.33
GPR34 Q9UPC5 1/20 0.33
CNR2 P34972 1/20 0.32
DGKA P23743 1/20 0.32

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
SCHEMBL7019565 0.90 ALDH1A1 (0.40) ALDH1A1TDP1L3MBTL1P2RY10GPR34
SCHEMBL699087 0.86 EPHX2 (0.37) EPHX2CNR1ALDH1A1TDP1L3MBTL1
SCHEMBL7109291 0.85 EGFR (0.40) ALDH1A1TDP1
SCHEMBL9229451 0.84 EPHX2 (0.41) EPHX2CNR1ALDH1A1TDP1L3MBTL1
SCHEMBL13030430 0.84 EPHX2 (0.41) EPHX2CNR1ALDH1A1TDP1L3MBTL1
SCHEMBL78014 0.84 EPHX2 (0.41) EPHX2CNR1ALDH1A1TDP1L3MBTL1
SCHEMBL18929537 0.84 EPHX2 (0.37) EPHX2CNR1ALDH1A1TDP1L3MBTL1
SCHEMBL9420192 0.82 HDAC6 (0.37) ALDH1A1TDP1
SCHEMBL22915501 0.81 EPHX2 (0.38) EPHX2CNR1P2RY10CNR2
SCHEMBL3016143 0.81 EPHX2 (0.37) EPHX2CNR1ALDH1A1TDP1L3MBTL1

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-20230167336-A1 ADHESIVE SHEET NITTO DENKO CORPORATION (JP) 2023-06-01 US disclosed
US-8277695-B2 Reversibly thermochromic compositions BASF SE (DE) 2012-10-02 US disclosed
US-20110180767-A1 Reversibly thermochromic compositions CIBA CORPORATION 2011-07-28 US disclosed
US-20060138391-A1 Flame retardant composition comprising a phosphonic acid metal salt and a nitrogen containing compound CIBA SPECIALTY CHEMICALS CORP. 2006-06-29 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-20110180767-A1 Reversibly thermochromic compositions C1R, C3AR1, C9 EPHX2 3195/4885CNR1 300/4885ALDH1A1 2451/4885

“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.