SCHEMBL1678968

SCHEMBL1678968

CCC(C(=O)O)c1cnc(-c2ccc(OC)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
AKR1C1 Q04828 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.44

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
SCHEMBL23315098 0.76 KDM4E (0.46) CSNK2A2CSNK2A1MMP2MMP9HDAC3
SCHEMBL3250345 0.76 ALDH1A1 (0.49) MMP2MMP9ALDH1A1HPGDHSD17B10
SCHEMBL4895408 0.74 CSNK2A2 (0.59) CSNK2A2CSNK2A1MMP2MMP9HDAC3
SCHEMBL1567664 0.73 CSNK2A2 (0.47) CSNK2A2CSNK2A1MMP2MMP9HDAC3
SCHEMBL5263509 0.73 PTGDR2 (0.58) CSNK2A2CSNK2A1MMP2MMP9HDAC3
SCHEMBL5184994 0.71 CSNK2A2 (0.53) CSNK2A2CSNK2A1MMP2MMP9HDAC3
SCHEMBL4894167 0.71 CDC7 (0.73) CSNK2A2CSNK2A1HDAC3HDAC4HDAC1
SCHEMBL1566812 0.71 MAPT (0.54) CSNK2A2CSNK2A1MMP2MMP9HDAC3
SCHEMBL22095156 0.71 AKR1C3 (0.73) AKR1C3AKR1C2AKR1C1PTGS1LDHA
SCHEMBL1180159 0.71 APP (0.57) CSNK2A2CSNK2A1MMP2MMP9HDAC3

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-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 CSNK2A2 364/4885CSNK2A1 423/4885MMP2 4839/4885

“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.