SCHEMBL6377367

SCHEMBL6377367

O=[N+]([O-])c1ccc[c]c1OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
CYP19A1 P11511 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGES O14684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.38
SCD O00767 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6377374 0.77 CYP19A1 (0.41) ALDH1A1KMT2AMEN1CYP19A1MAPT
SCHEMBL3800700 0.75 SCD (0.54) ALDH1A1KMT2AMEN1CYP19A1MAPT
SCHEMBL8586662 0.75 CYP19A1 (0.40) ALDH1A1KMT2AMEN1CYP19A1MAPT
SCHEMBL2154883 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2154456 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL623489 0.73 NPSR1 (0.37) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL1473123 0.73 SCD (0.55) ALDH1A1KMT2AMEN1CYP19A1MAPT
SCHEMBL1554958 0.73 TDP1 (0.52) ALDH1A1KMT2AMEN1CYP19A1MAPT
SCHEMBL3549018 0.72 MAOB (0.40) ALDH1A1ALOX15
SCHEMBL8477687 0.71 PDE5A (0.53) PDE5APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119262-A1 Method for preventing or treating an optic neuropathy with a cox-2 inhibitor and an intraocular pressure reducing agent PHARMACIA CORPORATION (US) 2005-06-02 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-20050119262-A1 Method for preventing or treating an optic neuropathy with a cox-2 inhibitor and an intraocular pressure reducing agent PTGS2, PTGS1, PTGES2 ALDH1A1 1551/4885KMT2A 3426/4885MEN1 2776/4885

“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.