SCHEMBL4542533

SCHEMBL4542533

c1ccc([C]2CCc3ccccc3O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTSR1 P30989 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TSHR P16473 1/20 0.32
OXTR P30559 1/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL971330 0.79 MAOA (0.70) MAOAMAOBGAANPSR1NPC1
SCHEMBL30360775 0.79 MAOA (0.70) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL20969988 0.71 MAOA (0.81) MAOAMAOBGAANPSR1NPC1
SCHEMBL6567554 0.71 MAOA (0.42) MAOAMAOBGAANPSR1NPC1
SCHEMBL4500547 0.70 MAOA (0.64) MAOAMAOBGAANPSR1NPC1
SCHEMBL12773597 0.70 MAOA (0.50) MAOAMAOBGAANPSR1NPC1
SCHEMBL7295118 0.70 MAOA (0.50) MAOAMAOBGAANPSR1NPC1
Dihydrocoumarin SCHEMBL17629427 0.70 MAOB (0.50) MAOAMAOBGAANPSR1NPC1
SCHEMBL13950592 0.70 MAOA (0.50) MAOAMAOBGAANPSR1NPC1
SCHEMBL5733780 0.70 MAOA (0.50) MAOAMAOBGAANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192675-A1 NEAR AND SHORTWAVE INFRARED POLYMETHINE DYES UNITED STATES DEPARTMENT OF ENERGY 2023-06-22 US claimed
EP-3606927-A1 NEAR AND SHORTWAVE INFRARED POLYMETHINE DYES Massachusetts Institute of Technology (US) 2020-02-12 EP claimed
WO-2018187295-A1 NEAR AND SHORTWAVE INFRARED POLYMETHINE DYES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-10-11 WO claimed
US-9963474-B2 Mitochondria-targeted dicarbonyl sequestering compounds MEDICAL RESEARCH COUNCIL (GB) 2018-05-08 US claimed
US-20160289252-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2016-10-06 US claimed
EP-3071582-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS Medical Research Council (GB) 2016-09-28 EP claimed
WO-2015075200-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS MEDICAL RESEARCH COUNCIL (GB) 2015-05-28 WO claimed
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2025-06-05 US disclosed
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation TUFTS MEDICAL CENTER (US) 2024-08-13 US disclosed
US-12043619-B2 Near and shortwave infrared polymethine dyes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-23 US disclosed
US-20230192675-A1 NEAR AND SHORTWAVE INFRARED POLYMETHINE DYES UNITED STATES DEPARTMENT OF ENERGY 2023-06-22 US disclosed
US-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2022-05-05 US disclosed
WO-2022037592-A1 PYRIMIDINE RING COMPOUND 南京明德新药研发有限公司 2022-02-24 WO disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
EP-1174430-A1 Process for the preparation of heterocycles by using C1-building blocks Universität Konstanz (DE) 2002-01-23 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 (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-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG MAOA 4017/4885MAOB 4302/4885GAA 2062/4885
US-12043619-B2 Near and shortwave infrared polymethine dyes FHIT, QDPR, PMS2 MAOA 91/4885MAOB 150/4885GAA 2839/4885
US-20230192675-A1 NEAR AND SHORTWAVE INFRARED POLYMETHINE DYES FHIT, QDPR, PMS2 MAOA 91/4885MAOB 150/4885GAA 2839/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 MAOA 900/4885MAOB 529/4885GAA 894/4885
US-20160289252-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS NDUFAB1, HADHB, SLC25A21 MAOA 3387/4885MAOB 1922/4885GAA 624/4885
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG MAOA 4017/4885MAOB 4302/4885GAA 2062/4885
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation LIPG, CD40, LDLR MAOA 4056/4885MAOB 4400/4885GAA 3161/4885

“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.