SCHEMBL9767722

SCHEMBL9767722

[CH2]c1cc(C(C)(C)C)no1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPK14 Q16539 4/20 0.35
CNR2 P34972 1/20 0.32
RAF1 P04049 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9260906 0.76 KDM4E (0.37) ALDH1A1MEN1KMT2A
SCHEMBL427051 0.73 ALDH1A1 (0.43) ALDH1A1MAPK14
SCHEMBL84872 0.73 MEN1 (0.48) ALDH1A1MAPK14CNR2MEN1KMT2A
SCHEMBL25876534 0.71 ALDH1A1 (0.42) ALDH1A1MAPK14CNR2RAF1MEN1
SCHEMBL22140385 0.71 ALDH1A1 (0.42) ALDH1A1MAPK14CNR2RAF1MEN1
SCHEMBL4126815 0.71 ALDH1A1 (0.42) ALDH1A1MAPK14CNR2RAF1MEN1
SCHEMBL10169579 0.71 ALDH1A1 (0.46) ALDH1A1MAPK14CNR2RAF1
SCHEMBL22140151 0.71 ALDH1A1 (0.42) ALDH1A1MAPK14CNR2RAF1MEN1
SCHEMBL16418628 0.71 ALDH1A1 (0.46) ALDH1A1MAPK14CNR2RAF1MEN1
SCHEMBL2609438 0.70 ALDH1A1 (0.44) ALDH1A1MAPK14CNR2RAF1MEN1

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
US-20210100246-A1 PYRIDYL-FORMAMIDINES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2021-04-08 US claimed
US-20210100246-A1 PYRIDYL-FORMAMIDINES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2021-04-08 US disclosed
US-5051409-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 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 (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-20210100246-A1 PYRIDYL-FORMAMIDINES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF PFAS, PNPO, PGM2 ALDH1A1 1216/4885MAPK14 1623/4885CNR2 4005/4885

“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.