SCHEMBL21361222

SCHEMBL21361222

Cc1cc(-c2ncc(F)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)C(C)(C)C)CC2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.35
CCR5 P51681 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
EPHX2 P34913 1/20 0.32
OPRD1 P41143 1/20 0.31
SMO Q99835 1/20 0.31
CYP3A4 P08684 2/20 0.30
RIPK1 Q13546 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
MGLL Q99685 1/20 0.30
ACACB O00763 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPK1 P28482 1/20 0.30
PDK2 Q15119 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL21357467 0.89 SPR (0.37) SPRALDH1A1CYP3A4ACACBMAPK1
SCHEMBL21361239 0.88 ABL1 (0.33) SPRALDH1A1HTTCYP3A4HDAC1
SCHEMBL21361253 0.87 SPR (0.36) SPRCYP3A4HDAC1HDAC2
SCHEMBL21361241 0.87 ALDH1A1 (0.37) SPRALDH1A1MGLL
SCHEMBL21361242 0.86 SPR (0.35) SPRCYP3A4MGLLACACBMAPK1
SCHEMBL21361249 0.86 HDAC2 (0.38) CCR5ALDH1A1HTTEPHX2CYP3A4
SCHEMBL21361251 0.84 CYP3A4 (0.42) ALDH1A1CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL24120436 0.84 ACACB (0.33) ACACB
SCHEMBL21361240 0.83 HSD17B10 (0.43) ALDH1A1CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL21361309 0.83 CYP2D6 (0.35) SPRALDH1A1ACACBCYP1A2CYP2D6

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
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 WO 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 SPR 319/4885CCR5 2848/4885ALDH1A1 26/4885

“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.