SCHEMBL9972334

SCHEMBL9972334

OOOOc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CA5A P35218 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ CA4 P22748 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ BAX Q07812 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ KCNA3 P22001 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL13811457 0.90 LTA4H (0.39) LTA4HTSHRCA5ACA5BCA4
SCHEMBL17655054 0.90 LTA4H (0.39) LTA4HTSHRCA5ACA5BCA4
SCHEMBL7131367 0.86 LTA4H (0.41) LTA4HTSHRCA5ACA5BCA4
SCHEMBL442148 0.82 — —
SCHEMBL5492420 0.82 LTA4H (0.53) LTA4HTSHRCA5ACA5BCA4
SCHEMBL158272 0.82 LTA4H (0.53) LTA4HTSHRCA5ACA5BCA4
SCHEMBL29017381 0.79 LTA4H (0.50) LTA4HTSHRCA5ACA5BCA4
Water SCHEMBL27482527 0.79 LTA4H (0.50) LTA4HTSHRCA5ACA5BCA4
Bromide SCHEMBL15571364 0.79 LTA4H (0.50) LTA4HTSHRCA5ACA5BCA4
SCHEMBL13418639 0.77 MMP3 (0.39) TAAR1ALDH1A1CA1CA2LMNA

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-8202877-B2 Aminopyrimidinamides as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-19 — — US disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 — — 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-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES DDT, NPEPPS, PTMS LTA4H 1739/4885TSHR 3137/4885CA5A 2160/4885

“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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