SCHEMBL24236700

SCHEMBL24236700

CCOC(=O)c1cnn(Cc2ccc(OCI)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.47
▸ PLA2G1B P04054 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ KLKB1 P03952 6/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ UCHL1 P09936 1/20 0.41
▸ PLA2G4A P47712 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 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
SCHEMBL369369 0.86 L3MBTL1 (0.54) GRM2MAPTSMN1; SMN2KLKB1ALDH1A1
SCHEMBL1909166 0.86 GRM2 (0.53) GRM2CYP1A2CYP3A4KLKB1ALDH1A1
SCHEMBL21910761 0.85 MAPT (0.45) PLA2G1BCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL30739239 0.85 GRM2 (0.50) GRM2CYP1A2CYP3A4MAPTSMN1; SMN2
SCHEMBL2821953 0.85 LMNA (0.54) GRM2MAPTSMN1; SMN2KLKB1ALDH1A1
SCHEMBL28595790 0.85 ESR1 (0.55) GRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28587532 0.85 GRM2 (0.45) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL3101067 0.84 KMT2A (0.51) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL31488311 0.84 KLKB1 (0.46) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL554548 0.84 GRM2 (0.51) GRM2CYP1A2CYP3A4SMN1; SMN2KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION 2022-02-03 — — US 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-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES TUBA1A, TTBK1, TUBA1B GRM2 1992/4885PLA2G1B 3916/4885CYP1A2 151/4885

“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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