SCHEMBL3116346

SCHEMBL3116346

C=[N+]([O-])c1ccccc1.C=[N+]([O-])c1ccccc1.O=Cc1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ CYP2A6 P11509 2/20 0.52
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.39
▸ ALDH5A1 P51649 2/20 0.38
▸ ABAT P80404 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FBP1 P09467 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ VCAM1 P19320 1/20 0.35

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
Isophthalic Dicarboxaldehyde SCHEMBL3111980 0.86 NFE2L2 (0.47) ALDH1A1CYP2A6LMNAMAPTTSHR
SCHEMBL10824676 0.82 — —
Benzaldehyde SCHEMBL4022100 0.75 ALDH1A1 (0.60) ALDH1A1CYP2A6LMNAMAPTNFE2L2
Benzaldehyde SCHEMBL16279843 0.74 ALDH1A1 (0.93) ALDH1A1CYP2A6LMNATSHRALDH5A1
Benzaldehyde SCHEMBL28115640 0.71 ALDH1A1 (0.88) ALDH1A1CYP2A6LMNATSHRALDH5A1
Benzaldehyde SCHEMBL8216173 0.71 ALDH1A1 (0.88) ALDH1A1CYP2A6LMNATSHRALDH5A1
Benzaldehyde SCHEMBL1607821 0.71 ALDH1A1 (0.88) ALDH1A1CYP2A6LMNATSHRALDH5A1
Benzaldehyde SCHEMBL5884311 0.71 ALDH1A1 (0.67) ALDH1A1CYP2A6LMNAMAPTTSHR
Benzaldehyde SCHEMBL11554014 0.71 ALDH1A1 (0.67) ALDH1A1CYP2A6LMNAMAPTTSHR
Benzaldehyde SCHEMBL573 0.71 — —

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-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2010-10-28 — — US claimed
US-8883931-B2 Polynitrones and use thereof for cross-linking unsaturated polymers HEINRICH-HEINE-UNIVERSITAT (DE) 2014-11-11 — — US disclosed
US-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2010-10-28 — — 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-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS PNN, MNAT1, NCL ALDH1A1 859/4885CYP2A6 4334/4885LMNA 275/4885

“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.

Send feedback