SCHEMBL5184686

SCHEMBL5184686

O=C1C=C(OC(=O)c2ccc(F)cc2CSc2nnnn2C2CC2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL5184290 0.90 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5184296 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5183385 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5182392 0.77 PKM (0.46) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6326332 0.76 RAB9A (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5182662 0.76 MAPT (0.48) ALDH1A1CASP1HSD17B10GAAL3MBTL1
SCHEMBL5183669 0.76 GLA (0.39) ALDH1A1CYP1A2CYP2C19L3MBTL1MEN1
SCHEMBL5184321 0.75 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5182357 0.74 KMT2A (0.48) ALDH1A1GAAMAPK1TP53MEN1
SCHEMBL5222036 0.73 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C19HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301492-B1 NOVEL TETRAZOLE DERIVATIVES BAYER CROPSCIENCE KK (JP) 2007-07-04 EP disclosed
US-6770599-B2 Tetrazole derivatives BAYER CROPSCIENCE KK (JP) 2004-08-03 US disclosed
US-20030224943-A1 Novel tetrazole derivatives BAYER CROPSCIENCE K. K. (JP) 2003-12-04 US disclosed
EP-1301492-A1 NOVEL TETRAZOLE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2003-04-16 EP disclosed
WO-2002002536-A1 NOVEL TETRAZOLE DERIVATIVES BAYER CROPSCIENCE K.K. (DE) 2002-01-10 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-20030224943-A1 Novel tetrazole derivatives CBR3, CBR1, ECH1 ALDH1A1 783/4885CYP1A2 220/4885CYP3A4 453/4885

“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.