SCHEMBL2827720

SCHEMBL2827720

COc1cc(F)c(C=CC(=O)O)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
THRB P10828 2/20 0.51
ATM Q13315 1/20 0.51
PTGS2 P35354 2/20 0.50
MAOA P21397 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
PKM P14618 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
PTGS1 P23219 1/20 0.45
HDAC1 Q13547 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
KRAS P01116 1/20 0.42
GAA P10253 2/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL2827717 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2THRBATMPTGS2
SCHEMBL18693777 0.86 MAOA (0.44) ALDH1A1SMN1; SMN2THRBATMPTGS2
SCHEMBL18693774 0.86 MAOA (0.44) ALDH1A1SMN1; SMN2THRBATMPTGS2
SCHEMBL19972256 0.84 HDAC1 (0.47) ALDH1A1MAOAABCG2KDM4EHPGD
SCHEMBL27846175 0.81 MAOA (0.60) ALDH1A1SMN1; SMN2MAOAABCG2KRAS
SCHEMBL27846177 0.81 MAOA (0.60) ALDH1A1SMN1; SMN2MAOAABCG2KRAS
SCHEMBL290189 0.80 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2THRBATMPTGS2
SCHEMBL715946 0.80 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2THRBATMPTGS2
SCHEMBL3912925 0.79 MAOB (0.48) MAOAABCG2HPGDHDAC1CA12
SCHEMBL13686189 0.79 MAOB (0.48) MAOAABCG2HPGDHDAC1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365830-B2 Ligand-exchangeable janus nanoparticles and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2025-07-22 US claimed
US-20220259490-A1 LIGAND-EXCHANGEABLE JANUS NANOPARTICLES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2022-08-18 US claimed
WO-2020252075-A1 LIGAND-EXCHANGEABLE JANUS NANOPARTICLES AND METHODS OF MAKING THE SAME ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2020-12-17 WO claimed
US-10544168-B2 Ligand-exchangeable nanoparticles and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2020-01-28 US claimed
US-20170362255-A1 LIGAND-EXCHANGEABLE NANOPARTICLES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2017-12-21 US claimed
US-12365830-B2 Ligand-exchangeable janus nanoparticles and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2025-07-22 US disclosed
US-20220259490-A1 LIGAND-EXCHANGEABLE JANUS NANOPARTICLES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2022-08-18 US disclosed
WO-2020252075-A1 LIGAND-EXCHANGEABLE JANUS NANOPARTICLES AND METHODS OF MAKING THE SAME ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2020-12-17 WO disclosed
US-10544168-B2 Ligand-exchangeable nanoparticles and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2020-01-28 US disclosed
US-20170362255-A1 LIGAND-EXCHANGEABLE NANOPARTICLES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2017-12-21 US disclosed
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 EP disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 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 (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-10544168-B2 Ligand-exchangeable nanoparticles and methods of making the same CA6, CA13, EPCAM ALDH1A1 137/4885SMN1; SMN2 4422/4885THRB 4486/4885
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 ALDH1A1 806/4885SMN1; SMN2 2362/4885THRB 559/4885
US-20170362255-A1 LIGAND-EXCHANGEABLE NANOPARTICLES AND METHODS OF MAKING THE SAME CA6, CA13, EPCAM ALDH1A1 137/4885SMN1; SMN2 4422/4885THRB 4486/4885

“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.