SCHEMBL3022776

SCHEMBL3022776

CCCCCCNCCCCCC=O

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.76
FAAH O00519 2/20 0.67
TRPV1 Q8NER1 2/20 0.67
ADH1B P00325 2/20 0.62
ADH1C P00326 2/20 0.62
ADH1A P07327 2/20 0.62
ADH7 P40394 2/20 0.62
EPHX1 P07099 2/20 0.62
ADH4 P08319 1/20 0.62
ALDH1A1 P00352 1/20 0.62
S1PR2 O95136 5/20 0.50
S1PR4 O95977 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
PPARA Q07869 2/20 0.50
S1PR5 Q9H228 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
SCHEMBL25093179 1.00 TSHR (0.76) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL25274699 1.00 TSHR (0.76) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL25093248 1.00 TSHR (0.76) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL3031672 0.98 TSHR (0.71) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL25200621 0.95 TSHR (0.68) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL25954739 0.95 TSHR (0.68) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL27789560 0.95 TSHR (0.68) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL23929281 0.95 TSHR (0.68) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL28736426 0.95 TSHR (0.68) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL17779397 0.95 TSHR (0.68) TSHRFAAHTRPV1ADH1BADH1C

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
US-11634552-B2 Organic amine salt foamer SHANDONG UNIVERSITY OF TECHNOLOGY (CN) 2023-04-25 US disclosed
EP-3719064-A1 ORGANIC AMINE SALT FOAMER Shandong University Of Technology (CN) 2020-10-07 EP disclosed
US-20200291199-A1 Organic Amine Salt Foamer SHANDONG UNIVERSITY OF TECHNOLOGY (CN) 2020-09-17 US 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
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TSHR 1585/4885FAAH 2018/4885TRPV1 677/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TSHR 643/4885FAAH 4813/4885TRPV1 1916/4885
US-20200291199-A1 Organic Amine Salt Foamer MSMO1, ALKBH3, ALKBH2 TSHR 4275/4885FAAH 105/4885TRPV1 2125/4885
US-11634552-B2 Organic amine salt foamer MSMO1, ALKBH3, ALKBH2 TSHR 4275/4885FAAH 105/4885TRPV1 2125/4885

“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.