SCHEMBL3929503

SCHEMBL3929503

COc1ccc(N(c2ccc(CO)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
AOC3 Q16853 2/20 0.44
CALM1 P0DP23 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LTA4H P09960 2/20 0.44
AGXT P21549 2/20 0.44
NR1I2 O75469 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
LDHA P00338 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL10062238 1.00 IDO1 (0.47) IDO1AOC3CALM1CA12CA1
SCHEMBL12732320 1.00 IDO1 (0.47) IDO1AOC3CALM1CA12CA1
SCHEMBL10062374 0.94 LTA4H (0.53) IDO1AOC3CALM1LTA4HAGXT
SCHEMBL12200966 0.94 MAOB (0.49) IDO1AOC3CALM1AGXTNR1I2
SCHEMBL12611356 0.94 MAOB (0.49) IDO1AOC3CALM1AGXTNR1I2
SCHEMBL14769812 0.94 LMNA (0.46) IDO1AOC3CALM1CA12CA1
SCHEMBL9892953 0.94 LTA4H (0.53) IDO1AOC3CALM1LTA4HAGXT
SCHEMBL10065946 0.94 IDO1 (0.42) IDO1AOC3CALM1LTA4HAGXT
SCHEMBL19270226 0.93 LTA4H (0.52) LTA4HTP53TSHR
SCHEMBL18268266 0.93 LTA4H (0.52) LTA4HTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385968-A High-fluorescence quantum yield semi-sandwich structure iridium (III) pyridine complex and preparation method and application thereof 曲阜师范大学 2022-11-25 CN disclosed
US-20180052375-A1 ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING APPARATUS, AND WINDOW MEMBER CANON KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
US-8652716-B2 Electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2014-02-18 US disclosed
US-8652716-B2 Electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2014-02-18 US disclosed
US-20120251932-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE FUJI XEROX CO., LTD. (JP) 2012-10-04 US disclosed
US-20120251932-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE FUJI XEROX CO., LTD. (JP) 2012-10-04 US disclosed
US-7507840-B2 Acceptor compounds useful for making hyperpolarizable organic chromophores UNIVERSITY OF WASHINGTON (US) 2009-03-24 US disclosed
US-7029606-B2 Hyperpolarizable organic chromophores UNIVERSITY OF WASHINGTON (US) 2006-04-18 US disclosed
US-20050179013-A1 Hyperpolarizable organic chromophores UNIVERSITY OF WASHINGTON 2005-08-18 US disclosed
EP-1305305-A4 HYPERPOLARIZABLE ORGANIC CHROMOPHORES UNIV WASHINGTON (US) 2005-07-20 EP disclosed
US-6878468-B2 Compounds capable of transporting/injecting hole and organic electroluminescent device having self-assembled monolayer comprising the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2005-04-12 US disclosed
US-20030087127-A1 Compounds capable of transporting/injecting hole and organic electroluminescent device having self-assembled monolayer comprising the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2003-05-08 US disclosed
EP-1305305-A1 HYPERPOLARIZABLE ORGANIC CHROMOPHORES The University of Washington (US) 2003-05-02 EP disclosed
US-20020084446-A1 Hyperpolarizable organic chromophores UNITED STATES AIR FORCE 2002-07-04 US disclosed
WO-2002008215-A1 HYPERPOLARIZABLE ORGANIC CHROMOPHORES UNIVERSITY OF WASHINGTON (US) 2002-01-31 WO 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 (1 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-20030087127-A1 Compounds capable of transporting/injecting hole and organic electroluminescent device having self-assembled monolayer comprising the same SLCO4C1, SLC26A3, SLCO2B1 IDO1 2967/4885AOC3 252/4885CALM1 4285/4885

“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.