SCHEMBL426996

SCHEMBL426996

COC(=O)c1ccc(C(=O)/C=C/C2CCCC2)nc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 6/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RIPK1 Q13546 1/20 0.34
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 3/20 0.32
RECQL P46063 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 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
SCHEMBL426997 1.00 PDCD1 (0.37) PDCD1CD274ALDH1A1KDM4EHSD17B10
SCHEMBL425701 0.89 TDP1 (0.47) KDM4EPOLBTDP1MAPTPADI4
SCHEMBL425702 0.89 TDP1 (0.47) KDM4EPOLBTDP1MAPTPADI4
SCHEMBL429047 0.75 MAPK1 (0.56) ALDH1A1KDM4E
SCHEMBL429046 0.75 MAPK1 (0.56) ALDH1A1KDM4E
SCHEMBL424092 0.74 MAPT (0.47) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL424093 0.74 MAPT (0.47) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL423552 0.72 PDCD1 (0.47) PDCD1CD274ALDH1A1KDM4EHSD17B10
SCHEMBL22660201 0.72 TDP1 (0.53) PDCD1CD274ALDH1A1KDM4EPOLB
SCHEMBL31003881 0.72 TDP1 (0.53) PDCD1CD274ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 PDCD1 4400/4885CD274 4667/4885ALDH1A1 1128/4885

“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.