SCHEMBL608577

SCHEMBL608577

CCC(O)C(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
TRPA1 O75762 2/20 0.53
ADRA2C P18825 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 1/20 0.45
HIF1A Q16665 1/20 0.45
AOC3 Q16853 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL21524526 1.00 LMNA (0.58) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL7692329 0.84 TAAR1 (0.56) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL10581707 0.84 TAAR1 (0.56) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL14402480 0.83 AOC3 (0.50) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL13849318 0.83 AOC3 (0.50) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL14402548 0.83 AOC3 (0.50) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL20738581 0.83 AOC3 (0.50) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL17086739 0.82 TRPA1 (0.50) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL17086745 0.82 TRPA1 (0.50) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL17086740 0.82 TRPA1 (0.50) LMNATRPA1ADRA2CKDM4EADRA2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-8399398-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-03-19 US disclosed
US-8399398-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-03-19 US disclosed
US-8399398-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-03-19 US disclosed
US-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-02-16 US disclosed
US-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-02-16 US disclosed
US-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2012-02-16 US disclosed
US-8071530-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US disclosed
US-8071530-B2 Organoleptic compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-06 US disclosed
US-20080039361-A1 Organoleptic Compounds and Their Use In Perfume Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-02-14 US disclosed
US-20080039361-A1 Organoleptic Compounds and Their Use In Perfume Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-02-14 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
EP-1301288-B1 CLEANING SHEET, CONVEYING MEMBER USING THE SAME, AND SUBSTRATE PROCESSING EQUIPMENT CLEANING METHOD USING THEM NITTO DENKO CORP (JP) 2006-11-08 EP disclosed
US-6821620-B2 CUTTING CLEANING SHEET; THEN CURING; SEMICONDUCTORS NITTO DENKO CORPORATION (JP) 2004-11-23 US disclosed
US-20030180532-A1 Cleaning sheet , conveying member using the same, and substrate processing equipment cleaning method using them NITTO DENKO CORPORATION (JP) 2003-09-25 US disclosed
EP-1301288-A1 CLEANING SHEET, CONVEYING MEMBER USING THE SAME, AND SUBSTRATE PROCESSING EQUIPMENT CLEANING METHOD USING THEM NITTO DENKO CORPORATION (JP) 2003-04-16 EP disclosed
WO-2002005975-A1 CLEANING SHEET, CONVEYING MEMBER USING THE SAME, AND SUBSTRATE PROCESSING EQUIPMENT CLEANING METHOD USING THEM NITTO DENKO CORPORATION (JP) 2002-01-24 WO 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 LMNA 4756/4885TRPA1 3699/4885ADRA2C 2053/4885
US-20120041077-A1 ORGANOLEPTIC COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, TRPV1, OR51E2 LMNA 3299/4885TRPA1 1/4885ADRA2C 307/4885

“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.