SCHEMBL6596154

SCHEMBL6596154

COc1cc(F)ccc1OCC#Cc1cc(C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
TRPA1 O75762 2/20 0.38
L3MBTL1 Q9Y468 7/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 5/20 0.36
HPGD P15428 4/20 0.36
NPC1 O15118 4/20 0.36
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6597369 0.85 GRM5 (0.57) GRM5L3MBTL1RAB9AMAPTHPGD
SCHEMBL7266190 0.82 GRM5 (0.39) GRM5TRPA1L3MBTL1RAB9AMAPT
SCHEMBL5547177 0.76 GRM5 (0.43) GRM5MEN1KMT2AKDM4E
SCHEMBL6603575 0.72 CHRNB2 (0.44) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL6598860 0.70 MEN1 (0.50) TRPA1L3MBTL1RAB9AMAPTHPGD
SCHEMBL29679102 0.70 MEN1 (0.50) TRPA1L3MBTL1RAB9AMAPTHPGD
SCHEMBL6814044 0.68 ALDH1A1 (0.38) MAPTHPGDCYP2C9CYP2C19MEN1
SCHEMBL7067498 0.67 MAPT (0.36) L3MBTL1RAB9AMAPTHPGDNPC1
SCHEMBL12129028 0.66 KDM4E (0.59) L3MBTL1MAPTHPGDCYP2C19ALDH1A1
SCHEMBL166380 0.65 NFE2L2 (0.61) CYP2C9CYP2C19ALDH1A1POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248739-A1 Pyridylpropynyloxyphenyl derivatives for use as herbicides SCHAETZER JURGEN (CH) 2004-12-09 US disclosed
EP-1414301-A1 PYRIDYLPROPYNYLOXYPHENYL DERIVATIVES FOR USE AS HERBICIDES Syngenta Participations AG (CH) 2004-05-06 EP disclosed
WO-2003013247-A1 PYRIDYLPROPYNYLOXYPHENYL DERIVATIVES FOR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-02-20 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-20040248739-A1 Pyridylpropynyloxyphenyl derivatives for use as herbicides DDT, CYP4X1, CHRM1 GRM5 667/4885TRPA1 736/4885L3MBTL1 2405/4885

“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.