SCHEMBL2082953

SCHEMBL2082953

CC(=O)C(C(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.48
▸ CES1 P23141 2/20 0.41
▸ HPGD P15428 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ MMP8 P22894 1/20 0.37

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
SCHEMBL27444155 0.98 SRC (0.47) SRCCES1HPGDCYP2D6HDAC3
Hydrochloric Acid SCHEMBL27461611 0.96 SRC (0.45) SRCCES1HPGDCYP2D6HDAC3
SCHEMBL22351001 0.88 SRC (0.56) SRCCES1CYP2D6HDAC3HDAC4
SCHEMBL28895362 0.83 HDAC3 (0.39) CES1HDAC3HDAC4HDAC1HDAC6
SCHEMBL28437637 0.81 HDAC4 (0.45) CES1HDAC4KMT2AMEN1
SCHEMBL1312762 0.81 SRC (0.64) SRCCES1HPGDCYP2D6HDAC3
SCHEMBL29256700 0.81 SRC (0.48) SRCCES1HPGDCYP2D6LMNA
SCHEMBL8858902 0.80 SRC (0.44) SRCCES1HDAC4HDAC6LMNA
SCHEMBL27542241 0.80 UGT2B7 (0.46) CYP2D6KMT2AMEN1
SCHEMBL11012611 0.79 SRC (0.61) SRCCES1HPGDCYP2D6HDAC3

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
US-20090242839-A1 Gas-phase infiltration of phosphors into the pore system of inverse opals MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 — — US claimed
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 — — EP disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 — — US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 — — US disclosed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 — — US disclosed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 — — US disclosed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 — — US disclosed
EP-2245017-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2010-11-03 — — EP disclosed
US-20090242839-A1 Gas-phase infiltration of phosphors into the pore system of inverse opals MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 — — US disclosed
WO-2009095773-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-06 — — WO disclosed
WO-2008148454-A1 INVERSE OPALS ON THE BASIS OF LUMINESCENT MATERIALS MERCK PATENT GMBH (DE) 2008-12-11 — — WO disclosed
EP-1997158-A1 GAS PHASE INFILTRATION OF LUMINOUS SUBSTANCES INTO THE PORE SYSTEM OF INVERSE OPALS Merck Patent GmbH (DE) 2008-12-03 — — EP disclosed
EP-1973884-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2008-10-01 — — EP disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 — — US disclosed
WO-2007107226-A1 GAS PHASE INFILTRATION OF LUMINOUS SUBSTANCES INTO THE PORE SYSTEM OF INVERSE OPALS MERCK PATENT GMBH (DE) 2007-09-27 — — WO disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 — — WO disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 — — US disclosed
EP-0289390-B1 PROCESS FOR ELIMINATING RADIOACTIVITY FROM EFFLUENTS BY LIQUID-LIQUID EXTRACTION RHONE-POULENC CHIMIE (FR) 1991-10-16 — — EP disclosed
US-5006254-A Extraction with halogenated beta-diketone RHONE-POULENC CHIMIE (FR) 1991-04-09 — — US disclosed
EP-0289390-A1 Process for eliminating radioactivity from effluents by liquid-liquid extraction RHONE-POULENC CHIMIE (FR) 1988-11-02 — — 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 (4 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-20080207606-A1 Novel heterocycles GPR4, UACA, PDE4A SRC 4078/4885CES1 1016/4885HPGD 1596/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 SRC 4271/4885CES1 935/4885HPGD 1535/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 SRC 3454/4885CES1 1529/4885HPGD 1924/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A SRC 4145/4885CES1 959/4885HPGD 1616/4885

“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.

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