SCHEMBL29848832

SCHEMBL29848832

O=c1[nH]cccc1CC1COC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
MCL1 Q07820 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
PARP1 P09874 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EZH2 Q15910 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL26018710 0.84 DAO (0.41) DAOAURKAAURKBINCENPMCL1
SCHEMBL3832422 0.81 DAO (0.38) DAOAURKAAURKBINCENPMCL1
SCHEMBL16056725 0.74 P2RX7 (0.34) DAOAURKAAURKBINCENPMCL1
SCHEMBL26965774 0.69 DBH (0.39) ALDH1A1MAPK1
SCHEMBL797191 0.69
SCHEMBL5685566 0.69
SCHEMBL29743274 0.67
SCHEMBL217278 0.67
SCHEMBL6641176 0.67
SCHEMBL1694688 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182490-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2024-06-06 US disclosed
US-20220315601-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2022-10-06 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 (2 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-20240182490-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 DAO 4091/4885AURKA 860/4885AURKB 450/4885
US-20220315601-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 DAO 4091/4885AURKA 860/4885AURKB 450/4885

“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.