SCHEMBL20180852

SCHEMBL20180852

CC(F)(F)c1ccc(Oc2ccc(C#N)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ PARP15 Q460N3 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ IL18 Q14116 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL15006214 0.88 CYP19A1 (0.51) CYP19A1KDM4ELMNACYP11B1CYP11B2
SCHEMBL29858989 0.82 ALDH1A1 (0.43) CYP19A1KDM4ELMNACYP11B2
SCHEMBL18397439 0.82 ALDH1A1 (0.43) CYP19A1KDM4ELMNACYP11B2
SCHEMBL17052788 0.82 CYP19A1 (0.47) CYP19A1KDM4ELMNACYP11B1CYP11B2
SCHEMBL29700357 0.80 PARP15 (0.46) CYP19A1KDM4ELMNAPARP15PARP10
SCHEMBL21745760 0.80 PARP15 (0.46) CYP19A1KDM4ELMNAPARP15PARP10
SCHEMBL21745759 0.80 POLB (0.45) CYP19A1KDM4ELMNAPARP15PARP10
SCHEMBL23222487 0.77 PARP15 (0.43) CYP19A1KDM4ELMNACYP11B1PARP15
SCHEMBL15584628 0.77 KDM4E (0.41) CYP19A1KDM4ELMNACYP11B1CYP11B2
SCHEMBL29700365 0.77 KDM4E (0.41) CYP19A1KDM4ELMNACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284159-A1 4-((6-(2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-2-HYDROXY-3-(5-MERCAPTO-1H-1,2,4-TRIAZOL-1-YL)PROPYL)PYRIDIN-3-YL)OXY)BENZONITRILE AND PROCESSES OF PREPARATION DOW AGROSCIENCES LLC (US) 2019-09-19 — — US disclosed
WO-2018094132-A1 4-((6-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-2-HYDROXY-3-(5-MERCAPTO-1H-1,2,4-TRIAZOL-1-YL)PROPYL)PYRIDIN-3-YL)OXY)BENZONITRILE AND PROCESSES OF PREPARATION VPS-3, INC. (US) 2018-05-24 — — 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-20190284159-A1 4-((6-(2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-2-HYDROXY-3-(5-MERCAPTO-1H-1,2,4-TRIAZOL-1-YL)PROPYL)PYRIDIN-3-YL)OXY)BENZONITRILE AND PROCESSES OF PREPARATION PDXK, PYM1, PF4 CYP19A1 2026/4885KDM4E 144/4885LMNA 2602/4885

“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.

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