SCHEMBL21361300

SCHEMBL21361300

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.43
TSHR P16473 2/20 0.43
HDAC2 Q92769 7/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC3 O15379 3/20 0.41
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 5/20 0.40
USP2 O75604 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21361303 0.94 CYP2D6 (0.41) CYP2D6TSHRHDAC2HDAC1HDAC3
SCHEMBL21361289 0.87 HDAC2 (0.42) CYP2D6HDAC2HDAC1HDAC3CYP1A2
SCHEMBL21361215 0.86 PDE4B (0.35) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22859575 0.85 CYP2D6 (0.37) CYP2D6TSHRCYP1A2ALDH1A1MEN1
SCHEMBL21361284 0.84 HDAC2 (0.37) CYP2D6TSHRHDAC2HDAC1ALDH1A1
SCHEMBL21361272 0.83 ALDH1A1 (0.38) HDAC2HDAC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL21361273 0.83 HDAC2 (0.37) CYP2D6HDAC2HDAC1ALDH1A1ALOX12
SCHEMBL21361258 0.83 HDAC2 (0.35) CYP2D6HDAC2HDAC1ALDH1A1MEN1
SCHEMBL24120405 0.83 HDAC1 (0.44) HDAC2HDAC1HDAC3ALOX12MEN1
SCHEMBL21361274 0.83 HDAC2 (0.34) CYP2D6HDAC2HDAC1ALDH1A1

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 157/4885TSHR 1526/4885HDAC2 964/4885

“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.