SCHEMBL21361240

SCHEMBL21361240

COCC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(-c3ncc(F)cn3)cc1C)C(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.43
ALDH1A1 P00352 8/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 9/20 0.40
TSHR P16473 6/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 4/20 0.40
HIF1A Q16665 2/20 0.40
USP2 O75604 6/20 0.39
CYP1A2 P05177 6/20 0.39
MAPK1 P28482 4/20 0.39
CYP2C19 P33261 4/20 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
SCHEMBL21361246 0.87 CYP3A4 (0.47) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP2D6
SCHEMBL24120473 0.86 HSD17B10 (0.35) HSD17B10ALDH1A1HPGDCYP2D6TSHR
SCHEMBL21357467 0.86 SPR (0.37) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP2D6
SCHEMBL21361224 0.86 JAK1 (0.39)
SCHEMBL21361241 0.84 ALDH1A1 (0.37) ALDH1A1
SCHEMBL21361309 0.84 CYP2D6 (0.35) ALDH1A1CYP2D6TSHRCYP1A2
SCHEMBL21361222 0.83 SPR (0.35) ALDH1A1SMN1; SMN2CYP2D6CYP3A4CYP2C9
SCHEMBL21361242 0.83 SPR (0.35) SMN1; SMN2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL21357809 0.83 P2RX7 (0.32)
SCHEMBL22954977 0.83 MAPT (0.36) HSD17B10CYP2C9CYP2C19

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 HSD17B10 83/4885ALDH1A1 26/4885HPGD 132/4885

“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.