SCHEMBL10239404

SCHEMBL10239404

COC1=C(c2c(C)cc(OCc3ccccc3)cc2C)C(O)/C(=C/C2CCOCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.37
CACNA1B Q00975 1/20 0.34
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APP P05067 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL10187585 0.78 ACHE (0.40) FFAR1MAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL515251 0.78 ACHE (0.40) FFAR1MAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL515849 0.63 MAOB (0.44) FFAR1MAOBMAOAS1PR1S1PR5
SCHEMBL10030221 0.60 CYP1A2 (0.58) FFAR1MAOBMEN1KMT2ALMNA
SCHEMBL13162342 0.60 BRD4 (0.57) MAOBMAOACNR1CNR2ALDH1A1
SCHEMBL10903897 0.60 L3MBTL1 (0.55) MAOBMAOASMN1; SMN2MEN1KMT2A
SCHEMBL16684803 0.59 FFAR1 (0.49) FFAR1GRM5
SCHEMBL1427078 0.59 LMNA (0.51) FFAR1MAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL1143540 0.59 MAOB (0.53) MAOBMAOASMN1; SMN2MEN1KMT2A
SCHEMBL10477402 0.59 APP (0.53) MAOBMAOASMN1; SMN2MEN1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 FFAR1 752/4885CACNA1B 2450/4885MAOB 2064/4885

“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.