SCHEMBL20061892

SCHEMBL20061892

CCCC1(CCC)c2cc(C(=O)/C(Cc3cccc(C)c3)=N/OC(C)=O)ccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 8/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTBP2 P56545 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL17084341 0.84 MAPT (0.33) MAPTNPC1ALDH1A1HTTRAB9A
SCHEMBL20061893 0.83 CTBP2 (0.34) ALDH1A1HTTRAB9ACTBP2MAOB
SCHEMBL20090053 0.82 PDK2 (0.34) CTBP2TDP1L3MBTL1
SCHEMBL20061894 0.82 CTBP2 (0.35) CTBP2MAOBL3MBTL1
SCHEMBL23895113 0.81 NPC1 (0.38) NPC1RAB9ACTBP2KMT2AMEN1
SCHEMBL18122989 0.81 MAPT (0.36) MAPTNPC1ALDH1A1HTTRAB9A
SCHEMBL17084321 0.81 MAPT (0.36) MAPTNPC1ALDH1A1HTTRAB9A
SCHEMBL20090059 0.80 CTBP2 (0.37) NPC1ALDH1A1RAB9ACTBP2MAOB
SCHEMBL20090055 0.80 CTBP2 (0.37) ALDH1A1HTTRAB9ACTBP2MAOB
SCHEMBL20090058 0.80 CTBP2 (0.39) MAPTNPC1ALDH1A1RAB9ACTBP2

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-20180107114-A1 PHOTOSENSITIVE RESIN COMPOSITION, POLYAMIDE RESIN, METHOD FOR PRODUCING POLYAMIDE RESIN, COMPOUND, METHOD FOR PRODUCING COMPOUND, METHOD FOR PRODUCING CURED FILM, AND CURED FILM TOKYO OHKA KOGYO CO LTD (JP) 2018-04-19 — — 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-20180107114-A1 PHOTOSENSITIVE RESIN COMPOSITION, POLYAMIDE RESIN, METHOD FOR PRODUCING POLYAMIDE RESIN, COMPOUND, METHOD FOR PRODUCING COMPOUND, METHOD FOR PRODUCING CURED FILM, AND CURED FILM RARA, LCP1, CUTA SMN1; SMN2 4359/4885MAPT 762/4885NPC1 2823/4885

“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.

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