SCHEMBL4109554

SCHEMBL4109554

COc1cc(-c2cc(CCl)ccn2)cc(OC)c1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.36
SRC P12931 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ERN1 O75460 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
MAPT P10636 2/20 0.33
TTR P02766 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KDM1A O60341 1/20 0.33
HDAC1 Q13547 1/20 0.33
THRB P10828 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL4120272 0.88 GAA (0.46) ALDH1A1GAAMAPTNPC1HSP90AA1
SCHEMBL4109886 0.87 FYN (0.41) ALDH1A1GAASRCTRPM8ERN1
SCHEMBL27598706 0.84 ERN1 (0.35) MEN1KMT2AERN1HCRTR1HCRTR2
SCHEMBL4114573 0.82 DYRK1A (0.39) SMN1; SMN2TDP1MEN1KMT2AERN1
SCHEMBL4126068 0.79 DYRK1A (0.48) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL13813557 0.79 ERN1 (0.41) ALDH1A1SRCTDP1ERN1MAPT
SCHEMBL4122785 0.77 HCRTR1 (0.42) MEN1KMT2AHCRTR1HCRTR2
Ethylene SCHEMBL4111191 0.76 HCRTR1 (0.41) SMN1; SMN2MEN1KMT2AHCRTR1HCRTR2
SCHEMBL4116427 0.75 KDM4C (0.52)
SCHEMBL13813556 0.75 PTGS2 (0.53) ALDH1A1GAAMEN1KMT2AMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP disclosed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US disclosed
US-6867221-B2 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2005-03-15 US disclosed
EP-1494670-A1 MEDICINE FOR TREATING CANCER Kowa Co., Ltd. (JP) 2005-01-12 EP disclosed
EP-1422219-A1 CYCLIC AMINE COMPOUND Kowa Co., Ltd. (JP) 2004-05-26 EP disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 US disclosed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO disclosed
US-6605620-B1 Such as 4-(N-(4-Methoxyphenyl)-N-(3-(3,4,5-trimethoxy-phenyl)-benzoylamino)-1-((2 -(3,4,5-trimethoxyphenyl)pyridin-4-yl)-methyl)piperidine; treatment and prevention of cell adhesion or infiltration KOWA CO., LTD. (JP) 2003-08-12 US disclosed
US-6498169-B1 CELL ADHESION AND INFILTRATION INHIBITORS; ANTIASTHMATICS, ANTIALLERGENS, ANTIRHEUMATICS, ANTIARTERIOSCLEROTICS, ANTIINFLAMMATORIES AND ANTI SJOGREN'S SYNDROME AGENTS KOWA CO., LTD. (JP) 2002-12-24 US disclosed
US-6395753-B1 ANTIHISTAMINES, ANTIALLERGENS, ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2002-05-28 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 (4 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 ALDH1A1 1788/4885GAA 3681/4885SRC 2652/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 ALDH1A1 2626/4885GAA 3222/4885SRC 2126/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 ALDH1A1 2626/4885GAA 3222/4885SRC 2126/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 ALDH1A1 3386/4885GAA 4050/4885SRC 1896/4885

“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.