SCHEMBL17440384

SCHEMBL17440384

COc1c(O)cccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
AR P10275 2/20 0.45
PGR P06401 1/20 0.45
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL6736896 0.85 POLB (0.47) CA1CA2ARPGRMAPT
SCHEMBL523663 0.82 AR (0.42) CA1CA2ARPGRALDH1A1
SCHEMBL5669334 0.80 CA1 (0.47) CA1CA2TP53MAPTALDH1A1
SCHEMBL17351029 0.80 CA1 (0.47) CA1CA2TP53MAPTALDH1A1
SCHEMBL6331609 0.80 CA1 (0.52) CA1CA2TP53MAPTALDH1A1
SCHEMBL16954014 0.80 CA1 (0.47) CA1CA2TP53MAPTALDH1A1
2-Methoxyresorcinol SCHEMBL69297 0.78 CA2 (0.61) CA1CA2TP53MAPTALDH1A1
SCHEMBL10070159 0.78 TSHR (0.61) ARMAPTALDH1A1KDM4EGAA
SCHEMBL30934831 0.78 POLB (0.50) CA1CA2ARALDH1A1KDM4E
SCHEMBL338999 0.78 POLB (0.50) CA1CA2ARALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322293-B1 ARYLOXYPYRIMIDINYL ETHERS AS HERBICIDES FMC CORP (US) 2021-05-19 EP disclosed
US-20180206497-A1 ARYLOXYPYRIMIDINYL ETHERS AS HERBICIDES FMC CORPORATION 2018-07-26 US disclosed
EP-3322293-A1 ARYLOXYPYRIMIDINYL ETHERS AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-05-23 EP disclosed
US-20170190671-A1 BIS(ARYL)CATECHOL DERIVATIVES AS HERBICIDES FMC CORPORATION 2017-07-06 US disclosed
EP-3169676-A1 BIS(ARYL)CATECHOL DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2017-05-24 EP disclosed
CN-106488913-A Bis (aryl) catechol derivatives as herbicides 纳幕尔杜邦公司 2017-03-08 CN disclosed
WO-2017011288-A1 ARYLOXYPYRIMIDINYL ETHERS AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2017-01-19 WO disclosed
WO-2016010731-A1 BIS(ARYL)CATECHOL DERIVATIVES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-01-21 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-20180206497-A1 ARYLOXYPYRIMIDINYL ETHERS AS HERBICIDES DDT, CYP1A1, CYP1B1 CA1 661/4885CA2 455/4885AR 2502/4885
US-20170190671-A1 BIS(ARYL)CATECHOL DERIVATIVES AS HERBICIDES DDT, CYP1A1, CYP1B1 CA1 1328/4885CA2 730/4885AR 1172/4885

“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.