SCHEMBL21361251

SCHEMBL21361251

Cc1cc(-c2ncc(F)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)c3ccccc3)CC2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.42
USP2 O75604 9/20 0.42
CYP1A2 P05177 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 5/20 0.42
CYP2D6 P10635 7/20 0.42
TSHR P16473 5/20 0.42
ALDH1A1 P00352 8/20 0.41
HIF1A Q16665 3/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL21361247 0.89 L3MBTL1 (0.42) CYP3A4USP2CYP1A2MAPK1CYP2D6
SCHEMBL21361308 0.88 USP2 (0.48) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL21357467 0.87 SPR (0.37) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL22908402 0.86 CYP2D6 (0.42) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL21361241 0.85 ALDH1A1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL24120123 0.84 ALDH1A1 (0.36) CYP3A4CYP1A2MEN1KMT2ACYP2D6
SCHEMBL21361242 0.84 SPR (0.35) CYP3A4CYP1A2MAPK1CYP2D6SMN1; SMN2
SCHEMBL21361222 0.84 SPR (0.35) CYP3A4CYP1A2MAPK1CYP2D6ALDH1A1
SCHEMBL22955564 0.83 ACHE (0.41) ALDH1A1SMN1; SMN2
SCHEMBL21361240 0.82 HSD17B10 (0.43) CYP3A4USP2CYP1A2MAPK1CYP2D6

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 CYP3A4 259/4885USP2 3265/4885CYP1A2 65/4885

“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.