SCHEMBL25755699

SCHEMBL25755699

CC(C)CC(=O)OCc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
GAA P10253 1/20 0.50
STAT1 P42224 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
MAOB P27338 8/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
NR4A2 P43354 2/20 0.47

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
SCHEMBL25923098 0.83 HCAR2 (0.57) HCAR2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL27615700 0.82 SLC15A1 (0.45) ALOX15MAOBMAOA
SCHEMBL111390 0.80 ALDH1A1 (0.61) HCAR2TSHRMMP9
SCHEMBL23135803 0.80 HCAR2 (0.55) HCAR2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL13034121 0.79 ALDH1A1 (0.61) HCAR2CYP2D6CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL28176642 0.79 ALDH1A1 (0.59) HCAR2TSHRMMP9
SCHEMBL27674121 0.79 ALDH1A1 (0.59) HCAR2TSHRMMP9
SCHEMBL28707037 0.79 HCAR2 (0.64) HCAR2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL1787511 0.79 HCAR2 (0.64) HCAR2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL6155887 0.78 KDM4E (0.53) HCAR2CYP2D6CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276792-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CLOQUINTOCET-MEXYL BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 US disclosed
US-20230217926-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND ISOXADIFEN-ETHYL BAYER AKTIENGESELLSCHAFT (DE) 2023-07-13 US disclosed
US-20230200390-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND MEFENPYR-DIETHYL BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230200394-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND BENOXACOR BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230200393-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND METCAMIFEN BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230189808-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND FURILAZOLE BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 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 (6 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-20230200394-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND BENOXACOR AADAC, CBR3, BROX HCAR2 91/4885CYP2D6 259/4885CYP2C9 106/4885
US-20230276792-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CLOQUINTOCET-MEXYL AADAC, ABAT, ABCG2 HCAR2 522/4885CYP2D6 255/4885CYP2C9 244/4885
US-20230217926-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND ISOXADIFEN-ETHYL AADAC, CYP4F12, IDH2 HCAR2 258/4885CYP2D6 220/4885CYP2C9 120/4885
US-20230200393-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND METCAMIFEN MET, MTX2, AADAC HCAR2 53/4885CYP2D6 345/4885CYP2C9 66/4885
US-20230200390-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND MEFENPYR-DIETHYL DDT, AADAC, EFHD2 HCAR2 435/4885CYP2D6 179/4885CYP2C9 185/4885
US-20230189808-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND FURILAZOLE AADAC, NOTUM, CYP4X1 HCAR2 416/4885CYP2D6 1021/4885CYP2C9 78/4885

“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.