SCHEMBL17376649

SCHEMBL17376649

CC#Cc1cc(OC)c(C2C(=O)CCCC2=O)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TLR9 Q9NR96 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOD2 Q9HC29 1/20 0.32
HSD17B3 P37058 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 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
SCHEMBL17302877 0.92 USP2 (0.32) ALDH1A1USP2LMNAPOLB
SCHEMBL15821747 0.90 PPOX (0.32) ALDH1A1MEN1KMT2A
SCHEMBL16271870 0.90 PPOX (0.32) CA1CA2CA4CA6
SCHEMBL16271897 0.84 PPOX (0.30) TLR9
SCHEMBL19051676 0.82 CYP11B2 (0.36) ALDH1A1TLR9MEN1KMT2ACA1
SCHEMBL18722810 0.82 TSHR (0.33) POLBKMT2A
SCHEMBL15839591 0.80 CNR1 (0.33)
SCHEMBL21985648 0.79 HTR2A (0.33) CA1CA2CA4CA6
SCHEMBL16592342 0.78 ALDH1A1 (0.33) ALDH1A1POLBTLR9MEN1KMT2A
SCHEMBL16592321 0.78 ALDH1A1 (0.31) ALDH1A1TLR9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458958-B Herbicidal propynyl-phenyl compounds 先正达参股股份有限公司 2020-07-10 CN disclosed
US-10662138-B2 Herbicidal propynyl-phenyl compounds SYNGENTA PARTICIPATIONS AG (CH) 2020-05-26 US disclosed
US-10662138-B2 Herbicidal propynyl-phenyl compounds SYNGENTA PARTICIPATIONS AG (CH) 2020-05-26 US disclosed
EP-3160950-B1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
EP-3160950-B1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
US-20170183281-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-29 US disclosed
US-20170183281-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-29 US disclosed
US-20170183281-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-29 US disclosed
EP-3160950-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS Syngenta Participations AG (CH) 2017-05-03 EP disclosed
WO-2015197468-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-12-30 WO disclosed
WO-2015197468-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-12-30 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 (2 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-10662138-B2 Herbicidal propynyl-phenyl compounds CBR3, CBR1, CNPY3 ALDH1A1 1547/4885USP2 2816/4885LMNA 4526/4885
US-20170183281-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS CBR3, CBR1, CNPY3 ALDH1A1 1547/4885USP2 2816/4885LMNA 4526/4885

“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.