SCHEMBL8436259

SCHEMBL8436259

CCC(CC)CNC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.40
MTNR1A P48039 7/20 0.37
MTNR1B P49286 7/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 1/20 0.37
PAOX Q6QHF9 2/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9884583 0.95 MAPK1 (0.40) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL22668470 0.88 ALDH1A1 (0.38) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL22668616 0.88 ALDH1A1 (0.38) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL13655846 0.86 TSHR (0.40) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL25724405 0.84 ALDH1A1 (0.39) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL18502830 0.84 ALDH1A1 (0.39) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL2105851 0.83 TSHR (0.57) MAPK1KDM4ETSHRALDH1A1LMNA
SCHEMBL18638052 0.83 TSHR (0.57) MAPK1KDM4ETSHRALDH1A1LMNA
SCHEMBL13950295 0.80 PAOX (0.39) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL14397158 0.80 PAOX (0.39) MAPK1KDM4EHIF1AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202874-A1 FURIN INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS BP ASSET V, INC. (US) 2021-10-07 WO disclosed
CN-101462994-B Vitamin D derivatives CHUGAI PHARMACEUTICAL CO LTD 2012-11-28 CN disclosed
CN-102617690-A Vitamin d derivatives CHUGAI PHARMACEUTICAL CO LTD 2012-08-01 CN disclosed
US-20100093645-A1 SMAC Peptidomimetics and the Uses Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-04-15 US disclosed
US-20100093645-A1 SMAC Peptidomimetics and the Uses Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-04-15 US disclosed
EP-1383731-B1 BIARYL COMPOUNDS AS SERINE PROTEASE INHIBITORS BIOCRYST PHARM INC (US) 2009-08-05 EP disclosed
CN-101462994-A Vitamin D derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-06-24 CN disclosed
CN-100469764-C Vitamin D derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-03-18 CN disclosed
WO-2007117241-A1 INTRAMUSCULAR ANTIVIRAL TREATMENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007095218-A1 INTRAVENOUS ANTIVIRAL TREATMENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
CN-1436170-A vitamin D derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-08-13 CN disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO 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-20100093645-A1 SMAC Peptidomimetics and the Uses Thereof BID, AIFM1, BAD MAPK1 2134/4885KDM4E 3557/4885HIF1A 1097/4885

“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.