SCHEMBL4661823

SCHEMBL4661823

CC(C)C1CCCCC1CO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
TRPA1 O75762 2/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
GBA1 P04062 2/20 0.32
SHBG P04278 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
SCHEMBL12868797 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL13295358 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL14639637 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL12868804 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL13142017 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL13295353 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL9918285 0.95 TRPA1 (0.35) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL12418390 0.95 TRPA1 (0.35) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL12418395 0.95 TRPA1 (0.35) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL12418391 0.95 TRPA1 (0.35) PABPC1APOBEC3AAPOBEC3GTDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341512-B1 RHINOLOGICAL AGENTS SYMRISE GMBH & CO KG (DE) 2008-12-31 EP claimed
EP-1341512-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2003-09-10 EP claimed
WO-2002041861-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2002-05-30 WO claimed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-9926312-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-27 US disclosed
US-9926312-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-27 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-20160244445-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-25 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 US disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
US-7732424-B2 for reducing animal core temperatures and rate of oxygen consumption; protecting against myocardial damage during cardioplegia; cardiovascular disease, neurological disorders, ophthalmic conditions, ischemic conditions, reperfusion injury, obesity, wasting disease, and/or diabetes INOTEK PHARMACEUTICALS CORPORATION (US) 2010-06-08 US disclosed
EP-1341512-B1 RHINOLOGICAL AGENTS SYMRISE GMBH & CO KG (DE) 2008-12-31 EP disclosed
EP-1341512-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2003-09-10 EP disclosed
WO-2002041861-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2002-05-30 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 (6 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PABPC1 3783/4885APOBEC3A 4381/4885APOBEC3G 3899/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 PABPC1 3724/4885APOBEC3A 4401/4885APOBEC3G 4139/4885
US-20160244445-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 PABPC1 3368/4885APOBEC3A 2574/4885APOBEC3G 2662/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PABPC1 3783/4885APOBEC3A 4381/4885APOBEC3G 3899/4885
US-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 PABPC1 4847/4885APOBEC3A 3922/4885APOBEC3G 3913/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 PABPC1 3368/4885APOBEC3A 2574/4885APOBEC3G 2662/4885

“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.