SCHEMBL22345426

SCHEMBL22345426

CC(C)P(=O)(c1cnnc2ccccc12)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ CCR1 P32246 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ NTRK1 P04629 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ BCAT2 O15382 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
SCHEMBL22345382 0.78 GPR3 (0.39) CYP1A2CYP2C19ALDH1A1SMN1; SMN2GPR3
SCHEMBL10742424 0.77 GPR3 (0.41) ALDH1A1GPR3TGFBR1HCRTR1HCRTR2
SCHEMBL22345497 0.74 ALDH1A1 (0.36) CYP1A2CYP2C19ALDH1A1GPR3TGFBR1
SCHEMBL22345431 0.73 MEN1 (0.42) CYP1A2ALDH1A1SMN1; SMN2GPR3
SCHEMBL22345518 0.71 MEN1 (0.36) CYP1A2ALDH1A1SMN1; SMN2GPR3
SCHEMBL4546577 0.69 GPR3 (0.44) CYP1A2CYP2C19ALDH1A1SMN1; SMN2GPR3
SCHEMBL19841858 0.69 IDO1 (0.43) CYP1A2CYP2C19ALDH1A1SMN1; SMN2GPR3
SCHEMBL11278441 0.69 SMN1; SMN2 (0.34) CYP1A2CYP2C19ALDH1A1SMN1; SMN2GPR3
SCHEMBL9114839 0.67 GPR3 (0.46) CYP1A2CYP2C19ALDH1A1SMN1; SMN2GPR3
SCHEMBL14518818 0.67 ELANE (0.41) CYP1A2CYP2C19ALDH1A1SMN1; SMN2GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-05-05 — — US disclosed
EP-3924344-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 — — EP disclosed
CN-113423694-A Cinnolinium compounds for use in a method for controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-21 — — CN disclosed
WO-2020164970-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — 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-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH NOTUM, DDT, CYP51A1 CYP1A2 121/4885CYP2C19 356/4885ALDH1A1 244/4885

“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.

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