SCHEMBL17844019

SCHEMBL17844019

CCOC(=O)C(C#N)c1cc(C)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 1/20 0.49
NLRP3 Q96P20 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
NFKB1 P19838 1/20 0.36
HBB P68871 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL11215228 0.85 KMT2A (0.40) SMN1; SMN2KMT2AMEN1GAANLRP3
SCHEMBL4579109 0.81 GAA (0.58) SMN1; SMN2KMT2AMEN1GAANLRP3
SCHEMBL17844001 0.81 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AGAANLRP3CYP2C9
SCHEMBL10911738 0.80 NLRP3 (0.38) SMN1; SMN2KMT2AMEN1GAANLRP3
SCHEMBL11216995 0.78 MDM2 (0.37) SMN1; SMN2KMT2AMEN1GAATSHR
SCHEMBL6289274 0.78 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL17843987 0.76 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1GAANLRP3
SCHEMBL2654569 0.76 LMNA (0.35) SMN1; SMN2KMT2AMEN1GAACYP2C9
SCHEMBL17466005 0.75 MEN1 (0.58) SMN1; SMN2KMT2AMEN1GAAPOLB
SCHEMBL30168361 0.75 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1GAANLRP3

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
CN-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 CN disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
EP-3232788-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-10-25 EP disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 WO disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 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-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 SMN1; SMN2 3681/4885KMT2A 3016/4885MEN1 938/4885

“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.