SCHEMBL4581927

SCHEMBL4581927

COc1cc(Sc2ccc(C(N)=O)c(NC3CCCCC3O)c2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SYK P43405 4/20 0.38
RAB9A P51151 1/20 0.38
MAPK8 P45983 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
JAK3 P52333 1/20 0.37
MAPK10 P53779 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP6 P55212 1/20 0.35
MAPK9 P45984 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 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
SCHEMBL4581185 0.98 HSP90AA1 (0.37) ALDH1A1HPGDSYKRAB9AMAPK8
SCHEMBL4579622 0.81 AR (0.42) ALDH1A1KDM4EMEN1KMT2ATUBB4A
SCHEMBL4581356 0.79 ALDH1A1 (0.36) ALDH1A1HPGDSYKRAB9AMAPK8
SCHEMBL4727248 0.79 ALDH1A1 (0.36) ALDH1A1HPGDSYKRAB9AHSP90AA1
SCHEMBL4581214 0.76 HSP90AA1 (0.44) ALDH1A1HPGDRAB9AHSP90AA1HSP90AB1
SCHEMBL4581198 0.76 HSP90AA1 (0.41) ALDH1A1HPGDHSP90AA1HSP90AB1JAK3
SCHEMBL4582529 0.75 HSP90AA1 (0.38) ALDH1A1HPGDHSP90AA1HSP90AB1JAK3
Glycine SCHEMBL4729238 0.73 ALDH1A1 (0.36) ALDH1A1HPGDRAB9AHSP90AA1HSP90AB1
SCHEMBL17766580 0.69 TP53 (0.52) ALDH1A1SYKMAPK8JAK3KDM4E
SCHEMBL4581684 0.68 HSP90AA1 (0.53) ALDH1A1HSP90AA1KDM4E

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 5 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
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

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 ALDH1A1 767/4885HPGD 660/4885SYK 462/4885

“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.