SCHEMBL10054822

SCHEMBL10054822

CCCCOC(=O)/C=C/c1cncnc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.58
ATM Q13315 1/20 0.56
HCAR2 Q8TDS4 3/20 0.50
ALOX5 P09917 1/20 0.46
ESR1 P03372 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL27866402 1.00 APP (0.58) APPATMHCAR2ALOX5ESR1
SCHEMBL22961507 0.85 APP (0.58) APPATMHCAR2ALOX5ESR1
SCHEMBL563576 0.84 CA12 (0.58) APPHCAR2ALOX5MAPTRAB9A
SCHEMBL563578 0.84 CA12 (0.58) APPHCAR2ALOX5MAPTRAB9A
SCHEMBL24516291 0.84 APP (0.57) APPATMHCAR2ALOX5ESR1
SCHEMBL20033498 0.83 PADI4 (0.45) APPALOX5LMNAMAPTTDP1
SCHEMBL4621254 0.83 L3MBTL1 (0.57) APPATMLMNAMAPTRAB9A
SCHEMBL14958898 0.83 APP (0.56) APPATMHCAR2ALOX5ESR1
SCHEMBL4621246 0.83 L3MBTL1 (0.57) APPATMLMNAMAPTRAB9A
SCHEMBL14960207 0.82 APP (0.55) APPATMHCAR2ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 US disclosed
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 US disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 US disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 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-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament ABL1, ABL2, BCR APP 2170/4885ATM 25/4885HCAR2 2790/4885

“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.