SCHEMBL4580694

SCHEMBL4580694

COc1cccc(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
AR P10275 4/20 0.42
PGR P06401 2/20 0.42
CD274 Q9NZQ7 1/20 0.41
PRKCQ Q04759 4/20 0.40
PRKCD Q05655 3/20 0.40
NAAA Q02083 1/20 0.39
HSP90AA1 P07900 1/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
TSHR P16473 1/20 0.39
CHEK1 O14757 2/20 0.38
BRD4 O60885 1/20 0.37
MAPK7 Q13164 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL4581544 0.85 PRKCQ (0.42) MAPTARPGRPRKCQPRKCD
SCHEMBL4726191 0.83 MMP9 (0.38) MAPTARPGRCD274PRKCQ
SCHEMBL4579980 0.82 KDM4E (0.48) MAPTARPGRPRKCQPRKCD
SCHEMBL4579724 0.81 PGR (0.50) MAPTARPGRCD274PRKCQ
SCHEMBL4581221 0.80 HSP90AA1 (0.56) HSP90AA1
SCHEMBL4581755 0.77 ALDH1A1 (0.42) MAPTPGRPRKCQPRKCDHSP90AA1
SCHEMBL4581125 0.77 SRC (0.41) PRKCQPRKCDALDH1A1
SCHEMBL4726889 0.75 EGFR (0.43) LMNABRD4MAPK7
SCHEMBL4783392 0.75 PRKCQ (0.39) MAPTCD274PRKCQPRKCDCHEK1
SCHEMBL4727895 0.75 PDE4B (0.46) MAPTPRKCQPRKCDUSP2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 MAPT 3882/4885AR 771/4885PGR 57/4885

“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.