SCHEMBL22893117

SCHEMBL22893117

c1ccc([PH](CC2CCCCCCC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
EPHX1 P07099 1/20 0.38
KDM1A O60341 3/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL24310936 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL22893113 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL18401356 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL22906294 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL5020562 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL10037070 0.98 EPHX2 (0.37) EPHX2RAB9ANPC1EPHX1KDM1A
Iodide SCHEMBL2647139 0.96 EPHX2 (0.36) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL5519016 0.89 GBA1 (0.34) SIGMAR1OPRM1OPRD1OPRK1
Bromide SCHEMBL28426746 0.87 GBA1 (0.33) SIGMAR1
SCHEMBL15593375 0.80 ACHE (0.38) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301300-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 US disclosed
US-20220281837-A1 SUBSTITUTED PYRIDAZINONES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2022-09-08 US disclosed
US-20210009530-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-14 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-20210009530-A1 HERBICIDAL COMPOUNDS DDT, HPD, PGD EPHX2 230/4885RAB9A 4008/4885NPC1 4799/4885
US-20230301300-A1 HERBICIDAL COMPOSITIONS GMDS, DDT, AADAC EPHX2 680/4885RAB9A 4007/4885NPC1 4842/4885
US-20220281837-A1 SUBSTITUTED PYRIDAZINONES AS HERBICIDES PDXK, HPD, DDT EPHX2 397/4885RAB9A 4174/4885NPC1 4867/4885

“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.