SCHEMBL3027059

SCHEMBL3027059

COc1ccc(C[C](C)C)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.59
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.49
ADRA1A P35348 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL27673626 0.87 APLNR (0.58) APLNRMEN1KMT2ACA2CA12
SCHEMBL13186651 0.85 APLNR (0.56) APLNRMEN1KMT2ACA2CA12
SCHEMBL267732 0.85 CYP3A4 (0.62) APLNRMEN1KMT2ACA2CA12
SCHEMBL29392677 0.85 CYP3A4 (0.62) APLNRMEN1KMT2ACA2CA12
SCHEMBL4960822 0.85 HSD17B10 (0.69) MEN1KMT2ACA2CA12CA1
SCHEMBL23617043 0.81 APLNR (0.56) APLNRMEN1KMT2ACA2CA12
SCHEMBL1097902 0.81 HSD17B10 (0.75) APLNRMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL30831943 0.81 HSD17B10 (0.75) APLNRMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL6615768 0.81 HTT (0.42) APLNRMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL6167176 0.80 KMT2A (0.56) APLNRMEN1KMT2ACA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (6 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 APLNR 3491/4885MEN1 275/4885KMT2A 2904/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 APLNR 2452/4885MEN1 1020/4885KMT2A 984/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 APLNR 3098/4885MEN1 4247/4885KMT2A 688/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 APLNR 3272/4885MEN1 4533/4885KMT2A 828/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 APLNR 3450/4885MEN1 1851/4885KMT2A 1623/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 APLNR 1823/4885MEN1 3512/4885KMT2A 2349/4885

“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.