SCHEMBL17833811

SCHEMBL17833811

COc1ccc(-c2c(C)noc2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.72
BRD4 O60885 11/20 0.68
BRD2 P25440 3/20 0.61
BRD3 Q15059 2/20 0.56
MLYCD O95822 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL2760349 0.84 PTGS2 (1.00) PTGS2BRD4
SCHEMBL7857274 0.82 BRD4 (0.64) PTGS2BRD4MLYCDMAPT
SCHEMBL8300240 0.80 BRD4 (0.70) BRD4BRD2BRD3MLYCD
SCHEMBL1670546 0.80 PTGS2 (0.52) PTGS2BRD4BRD2BRD3
SCHEMBL20578250 0.80 BRD4 (0.54) PTGS2BRD4BRD2BRD3MLYCD
SCHEMBL1651941 0.79 BRD4 (0.54) PTGS2BRD4BRD2BRD3MAPT
SCHEMBL12800381 0.79 PTGS2 (0.51) PTGS2BRD4BRD2BRD3
SCHEMBL22703757 0.79 BRD4 (0.64) PTGS2BRD4BRD2BRD3
SCHEMBL4586989 0.78 PTGS2 (0.88) PTGS2BRD4
SCHEMBL12800374 0.78 PTGS2 (0.50) PTGS2BRD4BRD2BRD3

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-109912584-B BRD4 protein inhibitor with anti-tumor activity and preparation method and application thereof 中国药科大学 2021-08-13 CN disclosed
CN-109912584-A BRD4 protein inhibitor with anti-tumor activity and preparation method and application thereof 中国药科大学 2019-06-21 CN disclosed
US-9975896-B2 Inhibitors of transcription factors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-22 US disclosed
US-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-16 US 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-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF BRD4, BRPF3, EP300 PTGS2 1594/4885BRD4 1/4885BRD2 14/4885

“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.