SCHEMBL2605872

SCHEMBL2605872

C=C(C)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc(N=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
KMT2A Q03164 3/20 0.37
PSMD14 O00487 1/20 0.37
MITF O75030 1/20 0.37
THRB P10828 1/20 0.36
TSHR P16473 4/20 0.35
KDM4E B2RXH2 7/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 3/20 0.35
GFER P55789 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL15357901 0.90 RAB9A (0.41) MAPTRAB9ANPC1KMT2APSMD14
SCHEMBL20999602 0.90 MAPT (0.40) MAPTRAB9ANPC1KMT2APSMD14
SCHEMBL18556273 0.90 MAPT (0.40) MAPTRAB9ANPC1KMT2APSMD14
SCHEMBL2602717 0.85 MMP14 (0.47) MAPTRAB9ANPC1KMT2ATHRB
SCHEMBL6932967 0.85 MMP14 (0.47) MAPTRAB9ANPC1KMT2ATHRB
SCHEMBL3317586 0.84 MLYCD (0.41) MAPTRAB9ANPC1KMT2APSMD14
SCHEMBL13378764 0.84 MAPT (0.44) MAPTRAB9ANPC1KMT2ATSHR
SCHEMBL14505212 0.84 MAPT (0.39) MAPTRAB9ANPC1KMT2APSMD14
SCHEMBL2982149 0.84 MAPT (0.44) MAPTRAB9ANPC1KMT2ATSHR
SCHEMBL2609226 0.83 KDM4E (0.38) MAPTRAB9ANPC1KMT2APSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168764-B2 Polyfunctional compound, optical recording material, optical recording medium, optical recording/reproducing apparatus, optical waveguide material, and photo-alignment film material NITTO DENKO CORPORATION (JP) 2012-05-01 US disclosed
US-8158737-B2 Method for production of polyfunctional compound NITTO DENKO CORPORATION (JP) 2012-04-17 US disclosed
US-20110098454-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2011-04-28 US disclosed
US-7884167-B2 conducting a Michael addition of a compound (A) having a hydrogen atom of pKa less than or equal to 15 to a (meth)acrylate or a (meth)acrylamide (B), in which at least one of the compounds (A) and (B) has a photoisomerization group; optical recording material, optical waveguide material NITTO DENKO CORPORATION (JP) 2011-02-08 US disclosed
US-20090182107-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2009-07-16 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-20110098454-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND ADCY10, ADCY5, ADCY1 MAPT 1641/4885RAB9A 1805/4885NPC1 4871/4885

“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.