SCHEMBL6029786

SCHEMBL6029786

COc1cc(F)cc(F)c1OC(=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL6622645 0.85 GPR17 (0.36) HTTRAB9AALDH1A1KMT2APOLB
SCHEMBL7965448 0.78 ACLY (0.34) SMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL6452278 0.78 CES2 (0.40) FFAR4FFAR1
SCHEMBL15754940 0.76 CES2 (0.39) TUBB1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL28721204 0.73 ALOX15 (0.41) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL7950442 0.72 HSD11B1 (0.35) MAPK1RAB9AFFAR4FFAR1ALDH1A1
SCHEMBL17006206 0.71 HSD17B10 (0.46) TUBB1NPSR1SMN1; SMN2LMNAMAPK1
SCHEMBL27962302 0.71 PKM (0.45) NPSR1MAPK1KDM4EHPGDMEN1
SCHEMBL10180980 0.70 KMT2A (0.39) SMN1; SMN2LMNAHTTKMT2APOLB
SCHEMBL15708677 0.69 HPGD (0.40) LMNAALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038047-B2 Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-05-02 US disclosed
US-20040167136-A1 Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides BASF AKTIENGESELLSCHAFT (DE) 2004-08-26 US disclosed
EP-1412356-A1 SUBSTITUTED 6-(2-METHOXYPHENYL)TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-04-28 EP disclosed
WO-2003008416-A1 SUBSTITUTED 6-(2-METHOXYPHENYL) TRIAZOLOPYRIMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-01-30 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-20040167136-A1 Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides CBR3, CBR1, CNPY2 TUBB1 546/4885NPSR1 2929/4885SMN1; SMN2 4387/4885

“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.