SCHEMBL95554

SCHEMBL95554

O=[C]c1ccc(I)cc1I

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.31
TTR P02766 1/20 0.31
PKM P14618 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
SCHEMBL21201454 0.76 IDO1 (0.37)
SCHEMBL21687452 0.75 TRPV4 (0.35) TTR
SCHEMBL18245444 0.75 TTR (0.31) TTR
SCHEMBL2490883 0.71 MAPK1 (0.38)
SCHEMBL11385650 0.70 BACE1 (0.35)
SCHEMBL7792827 0.70 TTR (0.36) ERN1TTRPKM
SCHEMBL97070 0.69
SCHEMBL3145381 0.67 TTR (0.56) ERN1TTR
SCHEMBL616435 0.67
SCHEMBL180319 0.66

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US 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
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
EP-0656209-A2 Melatonin derivatives for use in treating desynchronization disorders ELI LILLY AND COMPANY (US) 1995-06-07 EP disclosed
EP-0655243-A2 Melatonin derivatives for use in treating sleep disorders ELI LILLY AND COMPANY (US) 1995-05-31 EP disclosed
EP-0543659-B1 Melatonin derivatives and combinations with antiestrogen compounds for treating mammalian breast carcinoma LILLY CO ELI (US) 1995-05-10 EP disclosed
EP-0543659-A1 Melatonin derivatives and combinations with antiestrogen compounds for treating mammalian breast carcinoma ELI LILLY AND COMPANY (US) 1993-05-26 EP disclosed
US-5196435-A Melatonin derivatives and combinations with antiestrogen compounds for treating mammalian breast carcinoma ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0281242-B1 BETA-ALKYLMELATONINS ELI LILLY AND COMPANY (US) 1992-08-12 EP disclosed
US-4997845-A β-alkylmelatonins as ovulation inhibitors ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed
EP-0281242-A1 Beta-alkylmelatonins ELI LILLY AND COMPANY (US) 1988-09-07 EP disclosed
CN-88100478-A alkyl melatonin 1988-08-17 CN disclosed
US-4087444-A Amides as ovulation inhibitors ELI LILLY AND COMPANY (US) 1978-05-02 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ERN1 1875/4885TTR 4044/4885PKM 2836/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ERN1 1153/4885TTR 4593/4885PKM 3806/4885

“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.