SCHEMBL4064597

SCHEMBL4064597

COc1ccc(C(F)(F)F)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
FFAR1 O14842 1/20 0.48
FFAR2 O15552 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 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
SCHEMBL30002156 1.00 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL31321848 0.86 PDCD1 (0.46) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL6498758 0.86 PDCD1 (0.46) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL3207839 0.84 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL9886157 0.84 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL8936738 0.83 KDM4E (0.42) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL16959556 0.83 CYP1A2 (0.55) PTGDR2L3MBTL1MAPTPPARDPPARA
SCHEMBL40098 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL40119 0.82 L3MBTL1 (0.47) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL28465158 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
US-20210221810-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. 2021-07-22 US disclosed
US-10988474-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2021-04-27 US disclosed
US-10392382-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2019-08-27 US disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
US-20170137423-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2017-05-18 US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-9567328-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2017-02-14 US disclosed
US-20130184463-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2013-07-18 US disclosed
EP-1644337-B1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF ORE PHARMACEUTICALS INC (US) 2009-07-22 EP disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 WO disclosed
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (9 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-20210221810-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE PTGER1, PTGER4, PTGER2 HDAC3 762/4885HDAC1 1856/4885HDAC2 1200/4885
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 HDAC3 650/4885HDAC1 247/4885HDAC2 524/4885
US-10392382-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response PTGER1, PTGER4, PTGER2 HDAC3 762/4885HDAC1 1856/4885HDAC2 1200/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 HDAC3 650/4885HDAC1 247/4885HDAC2 524/4885
US-10988474-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response PTGER1, PTGER4, PTGER2 HDAC3 762/4885HDAC1 1856/4885HDAC2 1200/4885
US-20130184463-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE PTGER1, PTGER4, PTGER2 HDAC3 762/4885HDAC1 1856/4885HDAC2 1200/4885
US-20170137423-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE PTGER1, PTGER4, PTGER2 HDAC3 762/4885HDAC1 1856/4885HDAC2 1200/4885
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R HDAC3 968/4885HDAC1 929/4885HDAC2 1242/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R HDAC3 1992/4885HDAC1 2109/4885HDAC2 2387/4885

“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.