SCHEMBL19725367

SCHEMBL19725367

C=C[C@@H](C)[C@H](C)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
MAOA P21397 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOB P27338 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
POLB P06746 2/20 0.35

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
SCHEMBL21425393 0.88 KDM4E (0.40) KDM4EHPGDCA4MTNR1AMTNR1B
SCHEMBL19726547 0.82 LMNA (0.41) KDM4EHPGDMTNR1AMTNR1BLMNA
SCHEMBL1453272 0.81 CA4 (0.48) KDM4EHPGDCA4MTNR1AMTNR1B
SCHEMBL11353391 0.80 KDM4E (0.39) KDM4EHPGDCA4MTNR1AMTNR1B
SCHEMBL19725387 0.78 HPGD (0.41) KDM4EHPGDCA4MTNR1AMTNR1B
SCHEMBL941113 0.77 CA4 (0.43) KDM4EHPGDCA4MTNR1AMTNR1B
SCHEMBL25882988 0.77 CA4 (0.43) KDM4EHPGDCA4MTNR1AMTNR1B
SCHEMBL10607087 0.75 TSHR (0.39) KDM4ECA4MTNR1AMTNR1BGAA
SCHEMBL19714108 0.74 LMNA (0.45) KDM4EHPGDCA4MTNR1AMTNR1B
SCHEMBL17892009 0.74 LMNA (0.45) KDM4EHPGDCA4MTNR1AMTNR1B

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-20180000084-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2018-01-04 US disclosed
US-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-21 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 (2 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-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 KDM4E 2492/4885HPGD 2751/4885CA4 1687/4885
US-20180000084-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 KDM4E 2967/4885HPGD 2500/4885CA4 1696/4885

“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.