SCHEMBL14883232

SCHEMBL14883232

COc1ccc(C(C)C)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TXNRD1 Q16881 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDCD1LG2 Q9BQ51 4/20 0.33
CD274 Q9NZQ7 4/20 0.33
NNMT P40261 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
BCL2L11 O43521 2/20 0.32
BCL2L1 Q07817 2/20 0.32
BID P55957 1/20 0.32
BAK1 Q16611 1/20 0.32
BBC3 Q9BXH1 1/20 0.32
PDE2A O00408 1/20 0.32
PDE6D O43924 1/20 0.32

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
SCHEMBL25000942 0.79 PDE10A (0.33) PDE10A
SCHEMBL12049970 0.78 POLB (0.47) TXNRD1POLBTDP1PDCD1LG2CD274
SCHEMBL20375150 0.78 TXNRD1 (0.36) TXNRD1POLBTDP1NNMTSIRT2
SCHEMBL17586768 0.78 TXNRD1 (0.36) TXNRD1POLBTDP1NNMTSIRT2
SCHEMBL2609304 0.78 NNMT (0.46) TXNRD1POLBTDP1NNMTSIRT2
SCHEMBL25009829 0.76 POLB (0.38) TXNRD1POLBTDP1NNMTSIRT2
SCHEMBL5748896 0.74 LMNA (0.38) HTTPDCD1LG2CD274CYP1A2
SCHEMBL911440 0.74 HPGD (0.40) HTTALDH1A1TXNRD1POLBTDP1
SCHEMBL29581181 0.74 HPGD (0.40) HTTALDH1A1TXNRD1POLBTDP1
SCHEMBL23565850 0.73 CRHR1 (0.39) TXNRD1POLBTDP1NNMTSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-9156819-B2 2-pyridyloxy-4-nitrile orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-9156819-B2 2-pyridyloxy-4-nitrile orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-04-25 US disclosed
US-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-04-25 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-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 HTT 288/4885ALDH1A1 2488/4885TXNRD1 399/4885

“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.