SCHEMBL21361271

SCHEMBL21361271

COc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)c3ccccc3)CC2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.46
ALDH1A1 P00352 9/20 0.45
USP2 O75604 9/20 0.43
CYP3A4 P08684 8/20 0.43
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
HSD17B10 Q99714 6/20 0.43
MAPK1 P28482 5/20 0.43
HIF1A Q16665 4/20 0.43
HPGD P15428 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 7/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL21361308 0.93 USP2 (0.48) CYP2D6ALDH1A1USP2CYP3A4TSHR
SCHEMBL24120095 0.91 FFAR2 (0.40) CYP2D6ALDH1A1USP2CYP3A4TSHR
SCHEMBL22908406 0.90 CYP2D6 (0.45) CYP2D6ALDH1A1USP2CYP3A4TSHR
SCHEMBL21361303 0.88 CYP2D6 (0.41) CYP2D6ALDH1A1USP2TSHRSMN1; SMN2
SCHEMBL21361259 0.87 CCR8 (0.47) CYP2D6ALDH1A1USP2CYP3A4TP53
SCHEMBL21361258 0.85 HDAC2 (0.35) CYP2D6ALDH1A1MEN1KMT2AGPR183
SCHEMBL21361272 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL21361273 0.85 HDAC2 (0.37) CYP2D6ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21361260 0.85 CYP2D6 (0.45) CYP2D6ALDH1A1USP2CYP3A4TSHR
SCHEMBL21361274 0.85 HDAC2 (0.34) CYP2D6ALDH1A1GPR183

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 CYP2D6 157/4885ALDH1A1 26/4885USP2 3265/4885

“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.