SCHEMBL2601871

SCHEMBL2601871

CCCCC(CC)COc1ccc(C(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA2 P00918 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
PLA2G4B P0C869 1/20 0.47
ATM Q13315 1/20 0.45
ABCB1 P08183 2/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL2850156 0.90 ALDH1A1 (0.52) LMNAMAPTPOLBNPSR1ALDH1A1
SCHEMBL5471637 0.88 PLA2G4B (0.60) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL4653601 0.87 PARP10 (0.55) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL5472176 0.87 ALDH1A1 (0.50) LMNAMAPTPOLBNPSR1ALDH1A1
SCHEMBL15496881 0.86 ALDH1A1 (0.49) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL5469285 0.86 ALDH1A1 (0.55) LMNAMAPTGAAALDH1A1CYP3A4
SCHEMBL1356320 0.86 ALDH1A1 (0.50) LMNAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL1357035 0.86 ALDH1A1 (0.50) LMNAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL15496855 0.85 ALDH1A1 (0.48) LMNANPSR1ALDH1A1CYP3A4TSHR
SCHEMBL15496895 0.83 MAPK1 (0.48) LMNAMAPTNPSR1ALDH1A1CYP3A4

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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 US disclosed
US-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 US disclosed
EP-1363161-B1 Silver halide color photographic lightsensitive material FUJIFILM CORP (JP) 2007-09-12 EP 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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS OCIAD2, OCIAD1, NONO LMNA 4358/4885MAPT 532/4885POLB 537/4885

“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.