SCHEMBL25061491

SCHEMBL25061491

CC(C)C1=NOC(C(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MLYCD O95822 7/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL20640947 0.83 MIF (0.50) MIFKMT2AHTTHSD17B10CYP1A2
SCHEMBL25061719 0.82 MIF (0.36) MIFHTTPOLBNPC1ALDH1A1
SCHEMBL25061570 0.79 ALDH1A1 (0.35) MIFKMT2AHTTHSD17B10MLYCD
SCHEMBL19899949 0.78 MIF (0.38) MIFKMT2AHTTHSD17B10MLYCD
SCHEMBL25061704 0.77 MIF (0.36) MIFHTTCYP1A2CYP2C19NPC1
SCHEMBL25399355 0.70 HSD17B10 (0.44) KMT2AHTTTSHRHSD17B10MAPK1
SCHEMBL25399359 0.70 HSD17B10 (0.44) KMT2AHTTTSHRHSD17B10MAPK1
SCHEMBL20640508 0.68 MLYCD (0.32) MLYCDCYP1A2CYP2C19MAPT
SCHEMBL10756958 0.68 MIF (0.36) MIFHTTTSHRMLYCDCYP1A2
SCHEMBL7995924 0.68 MAPK1 (0.35) MAPK1

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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 — — 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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 MIF 4762/4885KMT2A 2284/4885HTT 3448/4885

“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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