SCHEMBL23928870

SCHEMBL23928870

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.42
NR1H3 Q13133 4/20 0.42
MCL1 Q07820 1/20 0.42
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40

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
SCHEMBL31020833 1.00 NR1H2 (0.42) NR1H2NR1H3MCL1CCNB2CDK1
SCHEMBL31694045 0.82 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1565970 0.82 MCL1 (0.57) NR1H2NR1H3MCL1CCNB2CDK1
SCHEMBL12803799 0.81 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL1621434 0.81 NR1H2 (0.43) NR1H2NR1H3MCL1CCNB2CDK1
SCHEMBL23928865 0.81 MCL1 (0.46) MCL1
SCHEMBL13429972 0.80 CCNB2 (0.42) NR1H2NR1H3MCL1CCNB2CDK1
SCHEMBL22529438 0.79 MCL1 (0.47) NR1H2NR1H3MCL1CCNB2CDK1
SCHEMBL17236441 0.78 NR1H2 (0.41) NR1H2NR1H3MCL1CCNB2CDK1
SCHEMBL23928895 0.78 CCNB2 (0.41) NR1H2NR1H3MCL1CCNB2CDK1

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 NR1H2 38/4885NR1H3 39/4885MCL1 4771/4885

“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.