SCHEMBL4774241

SCHEMBL4774241

COc1ccc(CCCO)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.56
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43
APOBEC3A P31941 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TNKS2 Q9H2K2 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28957715 0.86 TNKS2 (0.47) AOC3TNKS2MAPTTUBB1TDP1
SCHEMBL11211183 0.84 AOC3 (0.41) AOC3TSHRTNKS2MAPTTUBB1
SCHEMBL985240 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2POLBTSHR
SCHEMBL27586556 0.83 AOC3 (0.57) AOC3ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL25297854 0.81 TNKS2 (0.39) AOC3POLBTNKS2TUBB1
SCHEMBL27586438 0.81 AOC3 (0.56) AOC3ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL12474307 0.81 AOC3 (0.56) AOC3ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL4120081 0.81 AOC3 (0.51) AOC3ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL1340134 0.80 AOC3 (0.53) AOC3ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL10776215 0.80 AOC3 (0.54) AOC3LMNAMAPTKMT2A

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
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 AOC3 104/4885ALDH1A1 1083/4885KDM4E 3292/4885

“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.