SCHEMBL5124585

SCHEMBL5124585

O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSP90AA1 P07900 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
STAT1 P42224 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.45
PIM1 P11309 1/20 0.44
NOTUM Q6P988 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRMT1 Q99873 1/20 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
SCHEMBL3639725 0.82 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATDP1MAPT
SCHEMBL396870 0.80 ALDH1A1 (0.80) ALDH1A1KDM4ELMNATDP1MAPT
SCHEMBL2320172 0.78 KDM4E (0.61) ALDH1A1KDM4ELMNATDP1MAPT
SCHEMBL2158436 0.78 KDM4E (0.66) ALDH1A1KDM4ELMNATDP1MAPT
SCHEMBL13680868 0.78 PRMT1 (0.49) ALDH1A1KDM4ELMNATDP1MAPT
SCHEMBL17802293 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ELMNATDP1MAPT
SCHEMBL17802295 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATDP1MAPT
SCHEMBL17802299 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL8973988 0.77 KDM4E (0.59) ALDH1A1KDM4ELMNATDP1MAPT
SCHEMBL2325829 0.75 KDM4E (1.00) ALDH1A1KDM4ELMNATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 CN disclosed
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US disclosed
EP-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 EP disclosed
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
CN-111285850-A Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2020-06-16 CN disclosed
WO-2020114482-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND 中国科学院上海药物研究所 2020-06-11 WO disclosed
US-10456379-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-10-29 US disclosed
US-10322110-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-06-18 US disclosed
US-10314820-B2 Imidazole-based heterocyclic compounds PROCOMCURE BIOTECH GMBH (AT) 2019-06-11 US disclosed
US-20170368032-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-12-28 US disclosed
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2007-10-18 US disclosed
CN-1934099-A N-piperidine derivates as CCR3 modulators ASTRAZENECA AB (SE) 2007-03-21 CN disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
EP-1730136-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS AstraZeneca AB (SE) 2006-12-13 EP disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
WO-2005090330-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS ASTRAZENECA AB (SE) 2005-09-29 WO disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 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 (7 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R ALDH1A1 620/4885KDM4E 1353/4885LMNA 4566/4885
US-10456379-B2 Imidazole-based antimicrobial agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885KDM4E 2893/4885LMNA 4548/4885
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 ALDH1A1 2041/4885KDM4E 614/4885LMNA 2811/4885
US-10322110-B2 Imidazole-based antimicrobial agents ARG1, SLC11A2, IKZF3 ALDH1A1 1211/4885KDM4E 1072/4885LMNA 4362/4885
US-20170368032-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885KDM4E 2893/4885LMNA 4548/4885
US-10314820-B2 Imidazole-based heterocyclic compounds MIF, SLC11A2, TLR5 ALDH1A1 370/4885KDM4E 2426/4885LMNA 4294/4885
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA ALDH1A1 670/4885KDM4E 4792/4885LMNA 2040/4885

“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.