SCHEMBL2200614

SCHEMBL2200614

CC(OC(=O)C1(N)CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
GPR35 Q9HC97 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL2201333 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDGPR35MAPK1
SCHEMBL8859340 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDTP53TSHR
SCHEMBL2199204 0.82 THRB (0.41) ALDH1A1SMN1; SMN2HPGDTP53TSHR
SCHEMBL2201859 0.79 CASP6 (0.35) ALDH1A1SMN1; SMN2TSHRMAPTLMNA
SCHEMBL11159565 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDGPR35TP53
SCHEMBL8859379 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GPR35TSHRMAPK1
SCHEMBL27736702 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDGPR35TP53
SCHEMBL2200275 0.74 CYP1A2 (0.48) ALDH1A1SMN1; SMN2HPGDGPR35TP53
SCHEMBL2200612 0.74 EPHX1 (0.47) ALDH1A1HPGDMAPTPOLBNPSR1
SCHEMBL11026161 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDGPR35TP53

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
EP-1909142-B1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES (JP) 2015-06-24 EP disclosed
US-7977028-B2 Photosensitive resin composition and adhesion promoter TORAY INDUSTRIES, INC. (JP) 2011-07-12 US disclosed
US-20090123867-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION PROMOTER TORAY INDUSTRIES, INC. (JP) 2009-05-14 US disclosed
EP-1909142-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES, INC. (JP) 2008-04-09 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-20090123867-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION PROMOTER PCNA, TERB1, SMC2 ALDH1A1 1144/4885SMN1; SMN2 3418/4885HPGD 3669/4885

“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.