SCHEMBL22310185

SCHEMBL22310185

CN1CC[C@@H](C(=O)Nc2ccc(F)c(F)c2F)C1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ EPHX2 P34913 10/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL22337503 0.88 TP53 (0.51) ALDH1A1EPHX2TSHRTP53
SCHEMBL22337785 0.88 ALDH1A1 (0.38) ALDH1A1NPC1EPHX2LMNATP53
SCHEMBL22337322 0.88 TP53 (0.51) ALDH1A1EPHX2TSHRTP53
SCHEMBL30486800 0.88 TP53 (0.51) ALDH1A1EPHX2TSHRTP53
SCHEMBL22309840 0.83 TP53 (0.55) NPC1TP53
SCHEMBL30486811 0.83 KMT2A (0.53) ALDH1A1NPC1EPHX2TSHRLMNA
SCHEMBL30486807 0.83 KMT2A (0.53) ALDH1A1NPC1EPHX2TSHRLMNA
SCHEMBL21662059 0.83 KMT2A (0.53) ALDH1A1NPC1EPHX2TSHRLMNA
SCHEMBL22337697 0.82 EPHX2 (0.44) ALDH1A1EPHX2TSHRLMNATP53
SCHEMBL22591707 0.81 TP53 (0.49) ALDH1A1NPC1TSHRLMNATP53

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-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2024-01-25 — — US disclosed
US-20230286952-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-09-14 — — US disclosed
WO-2020161147-A1 HERBICIDAL MIXTURES SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
US-20200247778-A1 HERBICIDAL MIXTURES SYNGENTA CROP PROTECTION AG (CH) 2020-08-06 — — 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 (3 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-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 ALDH1A1 1182/4885NPC1 4448/4885EPHX2 330/4885
US-20230286952-A1 HERBICIDAL COMPOUNDS DDT, ACHE, CAT ALDH1A1 165/4885NPC1 4119/4885EPHX2 85/4885
US-20200247778-A1 HERBICIDAL MIXTURES DDT, CBR3, AS3MT ALDH1A1 521/4885NPC1 4242/4885EPHX2 80/4885

“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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