SCHEMBL2560484

SCHEMBL2560484

Cc1ccc(CC=O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
POLB P06746 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
NQO1 P15559 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 4/20 0.35
TSHR P16473 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL4378266 0.80 XDH (0.44) ALDH1A1ESR1ESR2MAPTTSHR
SCHEMBL2723303 0.80 ALDH1A1 (0.37) ALDH1A1ESR1ESR2POLBTDP1
SCHEMBL17164664 0.80 HPGD (0.40) ALDH1A1POLBTDP1MAPTLMNA
SCHEMBL2431475 0.80 ESR1 (0.63) ALDH1A1ESR1ESR2TDP1MAPT
SCHEMBL2370050 0.80 DAO (0.45)
SCHEMBL571551 0.80 ALDH1A1 (0.46) ALDH1A1TDP1MAPTTSHRMEN1
SCHEMBL3410728 0.80 MCL1 (0.40) ALDH1A1ESR1ESR2POLBTSHR
SCHEMBL2557796 0.80 DAO (0.45) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7044076 0.80 ALDH1A1 (0.44) ALDH1A1POLBMAPTMEN1GAA
SCHEMBL585480 0.80 CNR1 (0.39) ALDH1A1ESR1ESR2POLBNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
WO-2024110731-A1 METHOD FOR PURIFYING CHLOROTRIFLUOROETHYLENE BY EXTRACTIVE DISTILLATION ARKEMA FRANCE (FR) 2024-05-30 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220339154-A1 COMPOSITIONS, SYSTEMS, AND METHODS FOR GENERATING INNER EAR HAIR CELLS FOR TREATMENT OF HEARING LOSS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-10-27 US disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
US-11369607-B2 Compositions, systems, and methods for generating inner ear hair cells for treatment of hearing loss THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-06-28 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
US-6693139-B2 RESIN HAS LESS THAN 200 PARTS PER TRILLION BY WET WEIGHT OF ADSORBED TOTAL ORGANIC CARBON EXTRACTABLES, AS DETERMINED BY A GAS CHROMATOGRAPHY/MASS SPECTROMETRY TEST; FOR WATER PURIFICATION, INCLUDING NUCLEAR POWER PLANT COOLERS UNITED STATES FILTER CORPORATION 2004-02-17 US disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 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 (5 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-20220339154-A1 COMPOSITIONS, SYSTEMS, AND METHODS FOR GENERATING INNER EAR HAIR CELLS FOR TREATMENT OF HEARING LOSS SHH, MYOC, HES1 ALDH1A1 419/4885ESR1 4494/4885ESR2 2425/4885
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 ALDH1A1 1965/4885ESR1 2799/4885ESR2 1760/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 ALDH1A1 65/4885ESR1 4312/4885ESR2 1973/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 ALDH1A1 2182/4885ESR1 2427/4885ESR2 1889/4885
US-11369607-B2 Compositions, systems, and methods for generating inner ear hair cells for treatment of hearing loss SHH, MYOC, HES1 ALDH1A1 419/4885ESR1 4494/4885ESR2 2425/4885

“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.