SCHEMBL1531987

SCHEMBL1531987

Fc1ccc(Cc2[c]cccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
LMNA P02545 3/20 0.34
P2RX7 Q99572 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL79754 0.83 CALM1 (0.50) IDO1LOXL2LMNAALDH1A1KDM4E
SCHEMBL27490282 0.80 TP53 (0.44) TAAR1LMNAMAPK1L3MBTL1ALDH1A1
SCHEMBL8939729 0.80 TAAR1 (0.43) IDO1TAAR1LMNAMAPK1ALDH1A1
SCHEMBL28044480 0.80 TSHR (0.44) CALM1
SCHEMBL8791282 0.80 ESR1 (0.50) IDO1TAAR1LMNAL3MBTL1ALDH1A1
SCHEMBL4390802 0.80 APP (0.37) IDO1CALM1
SCHEMBL17956849 0.80 CYP3A4 (0.50) LOXL2LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL1531966 0.80 SIGMAR1 (0.37) IDO1TAAR1LMNAL3MBTL1ALDH1A1
SCHEMBL6353303 0.80 IDO1 (0.37) IDO1TAAR1LMNAALDH1A1MEN1
SCHEMBL9419563 0.80 CALM1 (0.32) CALM1

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 37 patents — showing the first 20. 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
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
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20110053770-A1 SUBSTITUTED AMINOTHIAZOLES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-03-03 US disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 US disclosed
US-6046190-A FOR INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
US-5965588-A COMPOUNDS PARTICULARLY USEFUL AS INHIBITORS OF HIV PROTEASE G.D. SEARLE & CO. (US) 1999-10-12 US disclosed
US-5843946-A α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-12-01 US disclosed
US-5760064-A RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE (US) 1998-06-02 US disclosed
US-5744481-A β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
US-5639769-A ADMINISTERING ANTIVIRAL AGENT G.D. SEARLE AND CO. (US) 1997-06-17 US disclosed
US-5521219-A TREATMENT OF AIDS G. D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5510388-A TREATING HTLV, AIDS G. D. SEARLE & CO. (US) 1996-04-23 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 (3 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-20110053770-A1 SUBSTITUTED AMINOTHIAZOLES AND THEIR USE AS FUNGICIDES ABAT, ALDH7A1, TH IDO1 15/4885LOXL2 2499/4885TAAR1 373/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 IDO1 247/4885LOXL2 762/4885TAAR1 351/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 IDO1 1514/4885LOXL2 3034/4885TAAR1 1639/4885

“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.