SCHEMBL194522

SCHEMBL194522

CN(C)c1ccc2c3c(c(=O)oc2c1)CCC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 7/20 0.57
HSD17B10 Q99714 7/20 0.57
HPGD P15428 6/20 0.57
TSHR P16473 4/20 0.57
GAA P10253 2/20 0.57
GLA P06280 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
CYP1A2 P05177 1/20 0.56
STS P08842 6/20 0.52
CCR4 P51679 1/20 0.52
ALDH1A2 O94788 1/20 0.51
ALDH2 P05091 1/20 0.51
ALDH1B1 P30837 1/20 0.51
ALDH1A3 P47895 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL14437119 0.84 ALDH1A1 (0.54) MAOAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31331641 0.79 ACHE (0.50) MAOAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31331730 0.77 ACHE (0.51) MAOAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31331899 0.76 MAOA (0.67) MAOAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3757463 0.76 MAOA (1.00) MAOAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7532636 0.76 ALDH1A1 (0.67) MAOAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10881037 0.76 CCR4 (0.62) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL21587877 0.74 KDM4E (0.69) MAOAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL840516 0.73 KDM4E (0.48) MAOAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL30352933 0.73 KDM4E (0.48) MAOAALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201624-A1 NON-INVASIVE ENERGY UPCONVERSION METHODS AND SYSTEMS FOR IN-SITU PHOTOBIOMODULATION IMMUNOLIGHT, LLC (US) 2023-06-29 US claimed
US-11382868-B2 Transdermal UV-curable hydrogel resin, hydrogel curing the same and cataplasm containing the same ICURE PHARMACEUTICAL INC. (KR) 2022-07-12 US claimed
US-10919909-B2 Photoinitiated reactions LINTFIELD LIMITED (GB) 2021-02-16 US claimed
US-10493296-B2 Non-invasive energy upconversion methods and systems for in-situ photobiomodulation IMMUNOLIGHT, LLC (US) 2019-12-03 US claimed
US-20190211031-A1 PHOTOINITIATED REACTIONS LINTFIELD LIMITED (GB) 2019-07-11 US claimed
US-20190046463-A1 ULTRAVIOLET-HARDENING HYDROGEL RESIN AND HYDROGEL FOR TRANSDERMAL ADMINISTRATION, AND CATAPLASM AGENT CONTAINING SAME ICURE PHARMACEUTICAL INC. (KR) 2019-02-14 US claimed
EP-3415141-A1 ULTRAVIOLET-HARDENING HYDROGEL RESIN AND HYDROGEL FOR TRANSDERMAL ADMINISTRATION, AND CATAPLASM AGENT CONTAINING SAME Icure Pharmaceutical Inc. (KR) 2018-12-19 EP claimed
US-9526914-B2 Non-invasive energy upconversion methods and systems DUKE UNIVERSITY (US) 2016-12-27 US claimed
US-9526913-B2 Non-invasive energy upconversion methods and systems DUKE UNIVERSITY (US) 2016-12-27 US claimed
US-20160263393-A1 NON-INVASIVE ENERGY UPCONVERSION METHODS AND SYSTEMS FOR IN-SITU PHOTOBIOMODULATION IMMUNOLIGHT, LLC (US) 2016-09-15 US claimed
WO-2010123993-A1 NON-INVASIVE ENERGY UPCONVERSION METHODS AND SYSTEMS FOR IN-SITU PHOTOBIOMODULATION VO-DINH TUAN (US) 2010-10-28 WO claimed
US-20100261263-A1 UP AND DOWN CONVERSION SYSTEMS FOR PRODUCTION OF EMITTED LIGHT FROM VARIOUS ENERGY SOURCES DUKE UNIVERSITY (US) 2010-10-14 US claimed
WO-2010107720-A2 UP AND DOWN CONVERSION SYSTEMS FOR PRODUCTION OF EMITTED LIGHT FROM VARIOUS ENERGY SOURCES VO-DINH TUAN (US) 2010-09-23 WO claimed
US-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-03 US claimed
US-20070254183-A1 Electroluminescent materials and deivces MERCK PATENT GMBH (DE) 2007-11-01 US claimed
WO-2007081991-A9 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS UNIV PENNSYLVANIA (US) 2007-09-07 WO claimed
WO-2007081991-A2 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-19 WO claimed
EP-1659938-A2 POLYMERSOMES INCORPORATING HIGHLY EMISSIVE PROBES The Trustees of The University of Pennsylvania (US) 2006-05-31 EP claimed
WO-2005016259-A2 POLYMERSOMES INCORPORATING HIGHLY EMISSIVE PROBES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-02-24 WO claimed
US-20050019265-A1 Polymersomes incorporating highly emissive probes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-01-27 US claimed

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-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS PML, ILK, PARG MAOA 3961/4885ALDH1A1 2833/4885KDM4E 4081/4885
US-10493296-B2 Non-invasive energy upconversion methods and systems for in-situ photobiomodulation MAVS, NLN, FURIN MAOA 3442/4885ALDH1A1 3589/4885KDM4E 4490/4885
US-20160263393-A1 NON-INVASIVE ENERGY UPCONVERSION METHODS AND SYSTEMS FOR IN-SITU PHOTOBIOMODULATION MAVS, NLN, FURIN MAOA 3442/4885ALDH1A1 3589/4885KDM4E 4490/4885
US-20230201624-A1 NON-INVASIVE ENERGY UPCONVERSION METHODS AND SYSTEMS FOR IN-SITU PHOTOBIOMODULATION MAVS, NLN, FURIN MAOA 3442/4885ALDH1A1 3589/4885KDM4E 4490/4885
US-10919909-B2 Photoinitiated reactions KMO, DECR1, PPOX MAOA 145/4885ALDH1A1 262/4885KDM4E 2292/4885
US-20050019265-A1 Polymersomes incorporating highly emissive probes PML, PAICS, MKI67 MAOA 1675/4885ALDH1A1 2687/4885KDM4E 4389/4885
US-20190211031-A1 PHOTOINITIATED REACTIONS DOHH, PAH, DBH MAOA 536/4885ALDH1A1 179/4885KDM4E 1292/4885

“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.