SCHEMBL1373573

SCHEMBL1373573

CC(=O)c1cc(F)c(O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 2/20 0.54
LMNA P02545 3/20 0.50
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ERN1 O75460 1/20 0.40
KIF11 P52732 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HSD17B1 P14061 1/20 0.38
KDM4E B2RXH2 2/20 0.37
FUT7 Q11130 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
CA3 P07451 1/20 0.37
MAPT P10636 1/20 0.37
SELL P14151 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
SCHEMBL31346697 0.91 CA5A (0.50) CA5ALMNACES2CES1KDM4E
SCHEMBL15495189 0.91 CA5A (0.50) CA5ALMNACES2CES1KDM4E
SCHEMBL18629792 0.85 TTR (0.47) CA5ALMNACES2CES1HDAC1
SCHEMBL18593254 0.85 CA5A (0.45) CA5ALMNACES2CES1ERN1
SCHEMBL823677 0.82 CES2 (0.64) CA5ALMNACES2CES1KIF11
SCHEMBL31346652 0.82 LMNA (0.75) CA5ALMNACA12ALDH1A1CA1
SCHEMBL12799726 0.82 LMNA (0.75) CA5ALMNACA12ALDH1A1CA1
SCHEMBL13125486 0.80 HDAC1 (0.59) CA5ALMNACES2CES1KIF11
Bromide SCHEMBL31124417 0.80 CES2 (0.61) CA5ALMNACES2CES1KIF11
SCHEMBL96069 0.79 LMNA (0.59) CA5ALMNAHDAC1KDM4EFUT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556469-B2 Method for classifying the presence or absence of a microorganism in a biological medium COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-01-31 US claimed
EP-2723885-B1 METHOD FOR CLASSIFYING THE PRESENCE OR ABSENCE OF A MICROORGANISM IN A BIOLOGICAL MEDIUM COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-08-12 EP claimed
US-20140162301-A1 Method for Classifying the Presence or Absence of a Microorganism in a Biological Medium CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-06-12 US claimed
EP-2723885-A2 METHOD FOR CLASSIFYING THE PRESENCE OR ABSENCE OF A MICROORGANISM IN A BIOLOGICAL MEDIUM Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2014-04-30 EP claimed
WO-2013001465-A2 METHOD FOR CLASSIFYING THE PRESENCE OR ABSENCE OF A MICROORGANISM IN A BIOLOGICAL MEDIUM COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2013-01-03 WO claimed
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B NOVARTIS AG (CH) 2024-12-10 US disclosed
US-20240199576-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-20 US disclosed
EP-4313042-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
CN-117120053-A Novel cyclopenta [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-11-24 CN disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
WO-2022204337-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 WO disclosed
US-5900502-A Fluorination process BNFL FLUOROCHEMICALS LIMITED (GB) 1999-05-04 US disclosed
US-5610020-A CLEAVING TO LABEL MOLECULAR SPEICES IN ANALYTES; VOLATILE FOR DETERMINATION IN GAS PGHASE NORTHEASTERN UNIVERSITY (US) 1997-03-11 US disclosed
US-5604104-A BIOLOGICAL ANALYSIS USING A CLEAVABLE LABEL CAPABLE OF VOLATILIZATION AND DETECTION IN THE VAPOR PHASE; MEDICAL DIAGNOSIS; HUMAN GENOME PROJECT; GENETIC DISORDERS NORTHEASTERN UNIVERSITY (US) 1997-02-18 US disclosed
US-5602273-A WHEN CLEAVED RELEASE STABLE ELECTROPHORIC KETONES VOLATILE ENOUGH FOR DETERMINATION IN GAS PHASE NORTHEASTERN UNIVERSITY (US) 1997-02-11 US disclosed
EP-0734363-A1 FLUORINATION PROCESS BNFL FLUOROCHEMICALS LTD. (GB) 1996-10-02 EP disclosed
US-5516931-A AROMATIC FLUORINATED KETONES FOR CHEMICAL LABELS NORTHEASTERN UNIVERSITY (US) 1996-05-14 US disclosed
WO-1995016649-A1 FLUORINATION PROCESS BNFL FLUOROCHEMICALS LTD. (GB) 1995-06-22 WO disclosed
US-3933472-A Substituted alkylaryl ketones and methods of use as herbicides BUCKMAN LABORATORIES, INC. (US) 1976-01-20 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 (3 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-20240199576-A1 NOVEL CYCLOPENTA[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2C, GRIN2B, GRIN2A CA5A 2413/4885LMNA 4799/4885CES2 3587/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A CA5A 1736/4885LMNA 4453/4885CES2 2181/4885
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A CA5A 1736/4885LMNA 4453/4885CES2 2181/4885

“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.