SCHEMBL3030397

SCHEMBL3030397

[CH2]CCCCc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.61
CALM1 P0DP23 2/20 0.58
HDAC1 Q13547 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
TRPV1 Q8NER1 1/20 0.52
SLC6A4 P31645 1/20 0.50

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
SCHEMBL7425426 0.98 TAAR1 (0.59) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL95457 0.95 TAAR1 (0.62) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL3021772 0.88 HDAC1 (0.48) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL273041 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4CYP1A2MAPT
SCHEMBL108050 0.87 CALM1 (0.72) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL95279 0.85 HDAC1 (0.46) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL108087 0.82 TAAR1 (0.77) TAAR1CALM1CYP3A4CYP1A2MAPT
SCHEMBL15178307 0.82 TAAR1 (0.61) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL8072554 0.82 TAAR1 (0.61) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL2471270 0.82 TAAR1 (0.77) TAAR1CALM1HDAC1HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-207191906-U One kind production sesamol storage bottle 福建仁宏医药化工有限公司 2018-04-06 CN disclosed
CN-207191679-U A kind of turnover rack for being used to stack sesamol 福建仁宏医药化工有限公司 2018-04-06 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
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
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
US-4985446-A CALCIUM OVERLOAD BLOCKERS IN BRAIN CELLS A/S FERROSAN (DK) 1991-01-15 US disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (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 TAAR1 351/4885CALM1 2828/4885HDAC1 161/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TAAR1 1639/4885CALM1 2129/4885HDAC1 20/4885

“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.