SCHEMBL890394

SCHEMBL890394

C=C(C)C(=O)OCC(C#N)C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
TSHR P16473 2/20 0.42
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL890421 0.84 MAOB (0.40) TSHRATMHTTCYP1A2ALDH1A1
SCHEMBL18027477 0.81 TSHR (0.50) ELANETSHRATML3MBTL1POLB
SCHEMBL3807949 0.79 ATM (0.45) ELANETSHRATML3MBTL1POLB
SCHEMBL890413 0.79 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL890577 0.76 TSHR (0.50) TSHRHTTALDH1A1LMNAMAPT
SCHEMBL9678185 0.76 ELANE (0.51) ELANETSHRATML3MBTL1POLB
Water SCHEMBL11049169 0.75 ELANE (0.71) ELANEATML3MBTL1TDP1CYP1A2
SCHEMBL13559176 0.74 ELANE (0.47) ELANETSHRATML3MBTL1POLB
SCHEMBL17938235 0.74 TSHR (0.47) ELANETSHRPOLBAPEX1HTT
SCHEMBL29089241 0.74 ELANE (0.56) ELANETSHRATML3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603726-B2 Radiation-sensitive resin composition, polymer and compound JSR CORPORATION (JP) 2013-12-10 US disclosed
US-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2012-04-05 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-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND RER1, RFT1, RAD51 ELANE 412/4885TSHR 2742/4885ATM 2009/4885

“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.