SCHEMBL21361292

SCHEMBL21361292

COc1cc(-c2ccc(C#N)cn2)cc(OC)c1C1C(=O)CC2(CCN(C(C)=O)CC2)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 3/20 0.40
HIF1A Q16665 1/20 0.38
IGF1R P08069 2/20 0.37
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
MAPK7 Q13164 1/20 0.37
BACE1 P56817 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
FGFR4 P22455 1/20 0.36
KCNJ1 P48048 1/20 0.36
KDM1A O60341 2/20 0.36
CHEK1 O14757 1/20 0.35

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
SCHEMBL21361307 0.95 CYP1A2 (0.38) TSHRCYP1A2MEN1CYP2C9KMT2A
SCHEMBL22908434 0.94 IGF1R (0.39) TSHRCYP1A2MEN1CYP2C9KMT2A
SCHEMBL21361283 0.89 CYP1A2 (0.41) TSHRCYP1A2MEN1CYP2C9KMT2A
SCHEMBL24120105 0.86 FASN (0.35) IGF1RPIK3CAMTORMAPK7KDM1A
SCHEMBL22908404 0.86 CHEK1 (0.36) MEN1KMT2APIK3CAMTORMAPK7
SCHEMBL22908414 0.85 CYP1A2 (0.41) TSHRCYP1A2MEN1CYP2C9KMT2A
SCHEMBL22908411 0.85 PIK3CA (0.39) PIK3CAMTORMAPK7KCNJ1CHEK1
SCHEMBL22908403 0.84 GRM5 (0.43) TSHRCYP1A2MEN1CYP2C9KMT2A
SCHEMBL24324810 0.82 ACACA (0.35) TSHRCYP1A2MEN1CYP2C9KMT2A
SCHEMBL21361296 0.81 MAPK1 (0.44) TSHRCYP1A2CYP2C9CYP2D6HIF1A

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 TSHR 1526/4885CYP1A2 65/4885MEN1 4035/4885

“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.