SCHEMBL1936061

SCHEMBL1936061

COc1cncc(C2=C(c3c(F)cc(F)cc3F)C(=O)OC2c2ccccc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 9/20 0.36
CYP11B2 P19099 8/20 0.36
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 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
SCHEMBL1937706 0.70 ALDH1A1 (0.37) KDM4EALDH1A1THRBMAPTGAA
SCHEMBL1938691 0.70 EDNRA (0.38) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL1936059 0.69 PRMT5 (0.41) MAPK1CYP11B1CYP11B2PRMT5WDR77
SCHEMBL1162763 0.69 PTGS2 (0.34) KDM4EALDH1A1MAPTGAACYP1A2
SCHEMBL1937518 0.65 CYP11B1 (0.40) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL12302844 0.60 CYP11B1 (0.65) MAPTCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL20470430 0.60 CYP11B2 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL14324623 0.60 TP53 (0.40) KDM4EALDH1A1MAPTGAATSHR
SCHEMBL1937545 0.60 CCNE2 (0.40) MEN1KMT2A
SCHEMBL5702666 0.59 CYP1A1 (0.74) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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-2330891-A1 FUNGICIDAL PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2011-06-15 EP disclosed
US-20110136762-A1 FUNGICIDAL PYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US disclosed
WO-2010036553-A1 FUNGICIDAL PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-01 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-20110136762-A1 FUNGICIDAL PYRIDAZINES PRDX1, PNPO, PRXL2A KDM4E 1409/4885ALDH1A1 1173/4885THRB 4045/4885

“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.