SCHEMBL545429

SCHEMBL545429

CC1CCC(C(C)C)C(OC(=O)/C=C/C(=O)OC2CC(C)CCC2C(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
ALDH1A1 P00352 9/20 0.52
HPGD P15428 2/20 0.52
CYP19A1 P11511 2/20 0.51
TRPA1 O75762 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13674748 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13476390 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13675571 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6701412 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13674746 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6737565 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13476726 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL16387737 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL14226245 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL15335366 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213210-A1 COMBINATION THERAPY OF MULTIPLE SCLEROSIS COMPRISING A CD20 LIGAND MABION SA (PL) 2022-07-07 US disclosed
US-11026920-B2 Use of NK-1 receptor antagonist serlopitant in pruritus VYNE THERAPEUTICS INC. (US) 2021-06-08 US disclosed
US-20200306224-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS VYNE THERAPEUTICS INC. 2020-10-01 US disclosed
US-10702499-B2 Use of NK-1 receptor antagonists in pruritus MENLO THERAPEUTICS INC. (US) 2020-07-07 US disclosed
US-10617671-B2 Use of NK-1 receptor antagonist serlopitant in pruritus MENLO THERAPEUTICS INC. (US) 2020-04-14 US disclosed
US-20200054604-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2020-02-20 US disclosed
US-20200054603-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2020-02-20 US disclosed
US-10463901-B2 Use of metal-accumulating plants for the preparation of catalysts that can be used in chemical reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-11-05 US disclosed
US-10278953-B2 Use of NK-1 receptor antagonist serlopitant in pruritus MENLO THERAPEUTICS INC. (US) 2019-05-07 US disclosed
US-10278952-B2 Use of NK-1 receptor antagonists in pruritus MENLO THERAPEUTICS INC. (US) 2019-05-07 US disclosed
US-20040034223-A1 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC. 2004-02-19 US disclosed
US-20030199688-A1 Macrocyclic module compositions COVALENT PARTNERS, LLC 2003-10-23 US disclosed
WO-1996022960-A1 PROCESS FOR PRODUCING 2,2-DIHYDROXYACETIC ACID MENTHYL ESTER LONZA AG (CH) 1996-08-01 WO disclosed
EP-0458363-B1 Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines SQUIBB & SONS INC (US) 1996-02-07 EP disclosed
EP-0458643-B1 Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside SQUIBB & SONS INC (US) 1995-11-29 EP disclosed
US-5344962-A Intermediates in the synthesis of an optically active cyclobutane nucleoside E. R. SQUIBB & SONS, INC. (US) 1994-09-06 US disclosed
US-5233076-A Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside E. R. SQUIBB & SONS, INC. (US) 1993-08-03 US disclosed
WO-1991018969-A1 FLUORINATED BIS(HYDROXYMETHYL)CYCLOBUTYL PURINES AND PYRIMIDINES E.R. SQUIBB & SONS, INC. (US) 1991-12-12 WO disclosed
EP-0458363-A1 Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines E.R. SQUIBB & SONS, INC. (US) 1991-11-27 EP disclosed
EP-0458643-A2 Process for preparing an optically active cyclobutanone, an intermediate in the synthesis of an optically active cyclobutane nucleoside E.R. SQUIBB & SONS, INC. (US) 1991-11-27 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 (12 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-20030199688-A1 Macrocyclic module compositions CYCS, IMMT, INTS9 EPHX1 3812/4885ALDH1A1 4880/4885HPGD 1804/4885
US-10702499-B2 Use of NK-1 receptor antagonists in pruritus TACR1, CYSLTR1, HRH3 EPHX1 588/4885ALDH1A1 2009/4885HPGD 1641/4885
US-10278952-B2 Use of NK-1 receptor antagonists in pruritus TACR1, CYSLTR1, HRH3 EPHX1 588/4885ALDH1A1 2009/4885HPGD 1641/4885
US-10617671-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 EPHX1 672/4885ALDH1A1 2186/4885HPGD 1492/4885
US-20200054603-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 EPHX1 672/4885ALDH1A1 2186/4885HPGD 1492/4885
US-20200054604-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS TACR1, CYSLTR1, HRH3 EPHX1 588/4885ALDH1A1 2009/4885HPGD 1641/4885
US-20040034223-A1 Amphiphilic molecular modules and constructs based thereon ANXA6, THEM6, ANXA5 EPHX1 1648/4885ALDH1A1 4330/4885HPGD 4706/4885
US-20200306224-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 EPHX1 672/4885ALDH1A1 2186/4885HPGD 1492/4885
US-20220213210-A1 COMBINATION THERAPY OF MULTIPLE SCLEROSIS COMPRISING A CD20 LIGAND CD209, MSR1, SIGLEC7 EPHX1 1975/4885ALDH1A1 2669/4885HPGD 4162/4885
US-11026920-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 EPHX1 672/4885ALDH1A1 2186/4885HPGD 1492/4885
US-10278953-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 EPHX1 672/4885ALDH1A1 2186/4885HPGD 1492/4885
US-10463901-B2 Use of metal-accumulating plants for the preparation of catalysts that can be used in chemical reactions PICALM, MAX, MGAM EPHX1 4374/4885ALDH1A1 4394/4885HPGD 1904/4885

“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.