SCHEMBL23928895

SCHEMBL23928895

CC(C)(C)OC(=O)n1c(C=O)cc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
NR1H2 P55055 15/20 0.40
MCL1 Q07820 1/20 0.40
NR1H3 Q13133 3/20 0.38
KRAS P01116 1/20 0.38
USP30 Q70CQ3 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 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
SCHEMBL13237432 0.84 NR1H2 (0.41) NR1H2NR1H3CA12CA9
SCHEMBL1760451 0.82 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL30356579 0.82 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL1621434 0.82 NR1H2 (0.43) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL13429972 0.81 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL12804182 0.81 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL13237010 0.80 TP53 (0.39) NR1H2
SCHEMBL22529438 0.80 MCL1 (0.47) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1565970 0.80 MCL1 (0.57) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL7921587 0.79 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112823157-B Spirochroman derivatives 吉瑞工厂 2024-08-09 CN disclosed
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 EP disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
CN-112823157-A Spirochroman derivatives 吉瑞工厂 2021-05-18 CN 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-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 CCNB2 2338/4885CDK1 1460/4885CCNB1 1896/4885

“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.