SCHEMBL5030951

SCHEMBL5030951

COc1cc(F)c(Cc2c(C)n(C(C)C)[nH]c2=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
TRAP1 Q12931 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.32
HSP90B1 P14625 1/20 0.32
GNRHR P30968 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAOB P27338 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CPS1 P31327 1/20 0.30
MAOA P21397 1/20 0.30
PARP14 Q460N5 1/20 0.30
MEN1 O00255 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL3747730 0.85 KMT2A (0.34) ALDH1A1KMT2AGNRHRLMNACPS1
SCHEMBL5031773 0.80 KMT2A (0.38) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL14626452 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14285903 0.77 ALDH1A1 (0.33) TAAR1ALDH1A1MAOB
SCHEMBL5028719 0.77 LMNA (0.36) LMNA
SCHEMBL5033114 0.76 HSD17B10 (0.36) ALDH1A1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL5030933 0.74
SCHEMBL5033155 0.74 KDM4C (0.38) TRAP1ALDH1A1KMT2AHSP90B1LMNA
SCHEMBL14626450 0.72 MTNR1B (0.38) CPS1MTNR1B
SCHEMBL5028718 0.72 P2RX3 (0.43)

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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes CYP4B1, CYP1B1, CYP11B1 TAAR1 4280/4885TRAP1 4650/4885ALDH1A1 622/4885

“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.