SCHEMBL1373549

SCHEMBL1373549

O=C1C=CC2(CCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.31

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
SCHEMBL515788 1.00 ALDH1A1 (0.34) ALDH1A1ALOX5
SCHEMBL9449773 1.00 ALDH1A1 (0.34) ALDH1A1ALOX5
SCHEMBL516008 0.98 ALDH1A1 (0.36) ALDH1A1ALOX5
SCHEMBL13333805 0.93 ALDH1A1 (0.36) ALDH1A1ALOX5
SCHEMBL9140299 0.88
SCHEMBL2435959 0.79 POLB (0.32)
SCHEMBL17277743 0.78 NEK2 (0.31)
SCHEMBL3728133 0.78
SCHEMBL4409815 0.77 ALDH1A1 (0.34) ALDH1A1ALOX5
SCHEMBL11956609 0.76 ALOX5 (0.30) ALOX5

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
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9464075-B2 Influenza A virus inhibition THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-10-11 US disclosed
US-9464075-B2 Influenza A virus inhibition THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-10-11 US disclosed
US-9464075-B2 Influenza A virus inhibition THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-10-11 US disclosed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
US-9403777-B2 Inhibitors of the influenza A virus M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-08-02 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
WO-2010033339-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 WO disclosed
WO-2010033339-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 WO disclosed
WO-2010033340-A1 INFLUENZA A VIRUS INHIBITION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 WO disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-26 US disclosed
EP-1884510-A1 N-SUBSTITUTED PHENYLACETAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-02-06 EP disclosed
EP-0074693-B1 PERFUME COMPOSITIONS AND PERFUMED ARTICLES CONTAINING SPIRO-UNDECANONES AND -UNDECENONES AS PERFUME BASE NAARDEN INTERNATIONAL N.V. (NL) 1986-01-08 EP disclosed
US-4448712-A Perfume compositions and perfumed articles containing spiro-undecanones and -undecenones as perfume base NAARDEN INTERNATIONAL N.V. (NL) 1984-05-15 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-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 ALDH1A1 268/4885ALOX5 2719/4885
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 ALDH1A1 268/4885ALOX5 2719/4885
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same HRH4, HRH2, CNR2 ALDH1A1 321/4885ALOX5 358/4885

“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.