SCHEMBL21361267

SCHEMBL21361267

COc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)CC#N)CC2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.39
CDK9 P50750 6/20 0.39
GRIN2B Q13224 3/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
HDAC2 Q92769 2/20 0.34
HDAC1 Q13547 1/20 0.34
KDM1A O60341 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 3/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21361256 0.93 GRIN2B (0.38) CCNT1CDK9GRIN2BIRAK4HDAC2
SCHEMBL24120480 0.91 CCNT1 (0.38) CCNT1CDK9GRIN2BHDAC2HDAC1
SCHEMBL21361260 0.89 CYP2D6 (0.45) CYP2D6ALDH1A1
SCHEMBL21361284 0.88 HDAC2 (0.37) GRIN2BHDAC2HDAC1KDM1ACYP2D6
SCHEMBL21361303 0.86 CYP2D6 (0.41) HDAC2HDAC1CYP2D6ALDH1A1
SCHEMBL21361273 0.84 HDAC2 (0.37) HDAC2HDAC1CYP2D6ALDH1A1
SCHEMBL21361272 0.84 ALDH1A1 (0.38) HDAC2HDAC1ALDH1A1
SCHEMBL21361258 0.84 HDAC2 (0.35) HDAC2HDAC1CYP2D6ALDH1A1
SCHEMBL24120475 0.84 RORC (0.36) CCNT1CDK9GRIN2BHDAC2HDAC1
SCHEMBL21361274 0.83 HDAC2 (0.34) HDAC2HDAC1KCNH2CYP2D6ALDH1A1

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 CCNT1 145/4885CDK9 2127/4885GRIN2B 2515/4885

“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.