SCHEMBL6479841

SCHEMBL6479841

CCOC(OCC)c1cc2ccc(C(=O)O)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CA9 Q16790 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
MIF P14174 2/20 0.37
SLC16A3 O15427 2/20 0.37
PFKFB3 Q16875 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL6480296 0.86 PSMB8 (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2HDAC6
SCHEMBL6480262 0.76 TP53 (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2CA9
SCHEMBL23775896 0.76 CA9 (0.44) KDM4EALDH1A1RAB9AHDAC6CA9
SCHEMBL23775787 0.75 CYP2A6 (0.39) KDM4ETSHRALDH1A1RAB9ACA9
SCHEMBL851242 0.73 HDAC6 (0.50) KDM4EALDH1A1RAB9ASMN1; SMN2HDAC6
SCHEMBL5229918 0.73 KDM4E (0.44) KDM4ETSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL28044374 0.71 PIM1 (0.56) KDM4ETSHRRAB9ASMN1; SMN2HDAC6
SCHEMBL3252832 0.71 HDAC6 (0.48) TSHRHDAC6HDAC3HDAC1HDAC2
SCHEMBL8142145 0.70 HRH3 (0.44) KDM4ETSHRALDH1A1CA9HRH3
SCHEMBL6478966 0.70 SMN1; SMN2 (0.51) KDM4ETSHRALDH1A1RAB9ASMN1; SMN2

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-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 KDM4E 1240/4885TSHR 2614/4885ALDH1A1 109/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 KDM4E 1240/4885TSHR 2614/4885ALDH1A1 109/4885

“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.