SCHEMBL423970

SCHEMBL423970

C=C(OCC)c1ccc(C(=O)OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.51
KDM4E B2RXH2 8/20 0.46
MAPT P10636 6/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
GAA P10253 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
CYP2C19 P33261 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
SCHEMBL18703780 0.87 KDM4E (0.48) HSD17B2KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL25200200 0.83 KDM4E (0.45) HSD17B2KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL7434555 0.82 KMT2A (0.63) HSD17B2KDM4EMAPTHTTNPC1
SCHEMBL2898513 0.80 HSD17B2 (0.71) HSD17B2KDM4EMAPTNPC1RAB9A
SCHEMBL2892480 0.80 MAPT (0.64) KDM4EMAPTHTTNPC1RAB9A
SCHEMBL19136414 0.80 NOTUM (0.45) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL24885565 0.79 KDM4E (0.51) HSD17B2KDM4EMAPTHTTSMN1; SMN2
SCHEMBL9942841 0.79 KMT2A (0.51) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2389583 0.78 TDP1 (0.57) KDM4EMAPTHTTRAB9AALDH1A1
SCHEMBL732865 0.78 KDM4E (0.49) HSD17B2KDM4EMAPTNPC1RAB9A

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 HSD17B2 32/4885KDM4E 3652/4885MAPT 3989/4885

“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.