SCHEMBL464510

SCHEMBL464510

CCC(CC=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.45
LMNA P02545 3/20 0.43
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 3/20 0.37
TAAR1 Q96RJ0 2/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP1 P29466 1/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4864892 1.00 CCR5 (0.45) CCR5LMNAHTR2AHRH1TDP1
SCHEMBL10349572 0.90 CCR5 (0.41) CCR5LMNAHTR2AHRH1TDP1
SCHEMBL3140559 0.87 CYP2D6 (0.42) HTR2AHRH1TDP1CYP2D6TAAR1
SCHEMBL1546516 0.84 AOC3 (0.40) CCR5LMNAHTR2AHRH1TDP1
SCHEMBL27750548 0.83 CCR5 (0.40) CCR5LMNACYP2D6TAAR1CTSD
SCHEMBL4994413 0.81 POLB (0.43) POLB
SCHEMBL1111815 0.81 LMNA (0.45) CCR5LMNAHTR2AHRH1CYP2D6
Formamide SCHEMBL28078765 0.81 CCR5 (0.46) CCR5LMNAHTR2ACYP2D6TAAR1
SCHEMBL12309826 0.80 ADRA2A (0.38) LMNATDP1MEN1KMT2ACASP1
SCHEMBL6013632 0.80 CCR5 (0.42) CCR5LMNACYP2D6TAAR1GABBR2

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-103288669-A Atrolactic acid amide derivative and applications thereof UNIV NANKAI 2013-09-11 CN claimed
US-20180305404-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2018-10-25 US disclosed
US-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide ALPHABETA AB (SE) 2018-07-17 US disclosed
EP-1941870-B1 Perfume Composition comprising perilla aldehyde SHISEIDO CO LTD (JP) 2018-05-09 EP disclosed
EP-3166579-A1 COMPACT OR FREE ANHYDROUS POWDER BASED ON PARTICLES ENCAPSULATING A BENEFICIAL AGENT L'Oréal (FR) 2017-05-17 EP disclosed
EP-2852573-B1 N-[3-(2-CARBOXYETHYL)PHENYL]-PIPERIDIN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma AG (DE) 2017-02-01 EP disclosed
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2016-11-24 US disclosed
EP-3094641-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE Alphabeta AB (SE) 2016-11-23 EP disclosed
WO-2016005248-A1 COMPACT OR FREE ANHYDROUS POWDER BASED ON PARTICLES ENCAPSULATING A BENEFICIAL AGENT L'OREAL (FR) 2016-01-14 WO disclosed
WO-2015107170-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2015-07-23 WO disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4774076-A DENTIFRICES, MOUTHWASHES LION CORPORATION (JP) 1988-09-27 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
US-4649044-A DISCOLORATION INHIBITION LION CORPORATION (JP) 1987-03-10 US disclosed
US-4584128-A Mixture of one or more t-mercapto terpene isomers and α-terpineol organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-04-22 US disclosed
US-4481221-A NORPINANE OR NORBORNANE RING INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-11-06 US disclosed
US-4465695-A FLAVOR, AROMA ENHANCERS FOR FOODS, VITAMINS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-14 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-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide APP, BACE1, PSEN1 CCR5 2520/4885LMNA 1734/4885HTR2A 1731/4885
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE APP, BACE1, PSEN1 CCR5 2754/4885LMNA 2042/4885HTR2A 1943/4885
US-20180305404-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE APP, BACE1, PSEN1 CCR5 2754/4885LMNA 2042/4885HTR2A 1943/4885

“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.