SCHEMBL80615

SCHEMBL80615

Cc1cc(C)cc(CCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.47
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP4F2 P78329 1/20 0.40
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS2 P35354 3/20 0.37
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 2/20 0.36
CA2 P00918 1/20 0.36
IGF1R P08069 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL28266224 0.93 TNKS2 (0.41) TNKS2HPGDNPC1MAPK1HTT
SCHEMBL29530874 0.89 CA2 (0.43) TNKS2HPGDNPC1MAPK1HTT
SCHEMBL16953115 0.85 TNKS2 (0.41) TNKS2HPGDNPC1MAPK1HTT
SCHEMBL17365381 0.85 TNKS2 (0.41) TNKS2HPGDNPC1MAPK1HTT
SCHEMBL16959217 0.85 TNKS2 (0.41) TNKS2HPGDNPC1MAPK1HTT
SCHEMBL7429249 0.84 TDP1 (0.42) HPGDCYP4A11CYP4F2IDH1ALDH1A1
SCHEMBL8086536 0.84 PTGS2 (0.42) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL8086639 0.84 NPC1 (0.41) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL8086884 0.81 PTGS2 (0.44) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL8098721 0.81 PTGS2 (0.44) HPGDNPC1MAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103874675-A Process for the preparation of methoxymelonal GIVAUDAN SA 2014-06-18 CN claimed
CN-100356901-C Body odor mimetic composition and perfume composition for suppressing body odor TAKASAGO PERFUMERY CO LTD (JP) 2007-12-26 CN claimed
CN-109310620-A A kind of Haircare composition 西姆莱斯股份公司 2019-02-05 CN disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-9321045-B2 Catalyst and process for synthesising the same THE UNIVERSITY OF WARWICK (GB) 2016-04-26 US disclosed
CN-103874675-B The preparation method of methoxyl group melonal GIVAUDAN S.A. (CH) 2015-11-25 CN disclosed
US-20150290634-A1 Catalyst and Process for Synthesising the Same THE UNIVERSITY OF WARWICK (GB) 2015-10-15 US disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
CN-103874675-A Process for the preparation of methoxymelonal GIVAUDAN SA 2014-06-18 CN disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
CN-1385457-A Gel composition PANRICO PARTNERSHIP INC (US) 2002-12-18 CN disclosed
CN-1087936-C Antipsychotic method NOVO NORDISK AS (DK) 2002-07-24 CN disclosed
CN-1324380-A Gel composition PENRECO (US) 2001-11-28 CN disclosed
EP-0634449-B1 Polyether with sterically hindered amine side chains as stabilizing agents CIBA GEIGY AG (CH) 1999-09-01 EP disclosed
US-5719257-A OBTAINED BY ANIONIC POLYMERIZATION OF DERIVATIVES OF 2,2,6,6-TETRAMETHYL-4-/2,3-EPOXYPROPOXY/PIPERIDINE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-02-17 US disclosed
US-5616637-A PHOTOSTABILITY; OXIDTION AND HEAT RESISTANT CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
CN-1133008-A Antipsychotic method NOVO NORDISK AS (DK) 1996-10-09 CN disclosed
US-5521282-A FROM 4-/2,3-EPOXYPROPOXY/-2,2,6,6-TETRAMETHYLPIPERIDINE CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
EP-0634449-A2 Polyether with sterically hindered amine side chains as stabilizing agents CIBA-GEIGY AG (CH) 1995-01-18 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 (1 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-20150290634-A1 Catalyst and Process for Synthesising the Same CBR3, SPR, RNF5 TNKS2 161/4885HPGD 1633/4885NPC1 3215/4885

“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.