SCHEMBL2118630

SCHEMBL2118630

C1CCC(OC2CCCCO2)OC1.Oc1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
APP P05067 1/20 0.35
PTPN1 P18031 1/20 0.34
KDM4C Q9H3R0 1/20 0.32
ESR2 Q92731 4/20 0.31
PCNA P12004 1/20 0.31
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30

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
Hydroquinone SCHEMBL9403963 0.91 ALDH1A1 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL7736947 0.83 ALOX15 (0.43) CA12CA1CA2CA9ALDH1A1
Bisphenol A SCHEMBL8740866 0.81 ESR1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL5765450 0.81 ENPP2 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL8740886 0.80 GAA (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL15093765 0.76 MEN1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL674989 0.76 TNK2 (0.40) ALDH1A1KMT2AMEN1KDM4C
SCHEMBL15093959 0.76 MEN1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL222919 0.76 MEN1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL10323707 0.75 ICAM1 (0.42) ALDH1A1KMT2AMEN1APPKDM4C

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-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-7811467-B2 Optical film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-12 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
US-20070298191-A1 Optical Film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-12-27 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 EP 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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 CA12 4851/4885CA1 4369/4885CA2 3661/4885

“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.