SCHEMBL3868422

SCHEMBL3868422

N#COP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL10404575 0.83 TSHR (0.46) SRCL3MBTL1TDP1MEN1KMT2A
Triphenyl Phosphate SCHEMBL1028391 0.82 SRC (0.61) SRCL3MBTL1TDP1KDM4EMEN1
SCHEMBL31156364 0.82 SRC (0.47) SRCL3MBTL1TDP1KDM4EMEN1
Triphenyl Phosphate SCHEMBL27956810 0.81 CYP3A4 (0.50) SRCL3MBTL1TDP1KDM4EMEN1
Triphenyl Phosphate SCHEMBL18116 0.79 SRC (0.64) SRCL3MBTL1TDP1KDM4EMEN1
Triphenyl Phosphate SCHEMBL28761613 0.79 SRC (0.64) SRCL3MBTL1TDP1KDM4EMEN1
Triphenyl Phosphate SCHEMBL28557783 0.79 SRC (0.64) SRCL3MBTL1TDP1KDM4EMEN1
Triphenyl Phosphate SCHEMBL483692 0.79 SRC (0.64) SRCL3MBTL1TDP1KDM4EMEN1
SCHEMBL131239 0.77 CYP3A4 (0.61) SRCL3MBTL1TDP1KDM4EMEN1
Triphenyl Phosphate SCHEMBL7746390 0.77 SRC (0.61) SRCL3MBTL1TDP1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US claimed
CN-106458881-B Carotenoid derivatives, its pharmaceutically acceptable salt or its pharmaceutically acceptable esters or amides 阿斯塔制药有限公司 2019-07-30 CN disclosed
US-10125104-B2 Carotenoid derivative, pharmaceutically acceptable salt thereof, or pharmaceutically acceptable ester or amide thereof Asta Pharmaceuticals Co., Ltd. (JP) 2018-11-13 US disclosed
EP-3147279-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF Fuji Chemical Industry Co., Ltd. (JP) 2017-03-29 EP disclosed
US-20170081289-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF FUJI CHEMICAL INDUSTRIES CO., LTD. (JP) 2017-03-23 US disclosed
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed
US-5698720-A INTERMEDIATES FOR TESTOSTERONE 5-ALPHA-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 EP disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
EP-0484094-B1 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO CO (JP) 1996-06-26 EP disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 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 (4 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-20170081289-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF NR2E3, NR3C2, NR5A1 SRC 2231/4885L3MBTL1 4074/4885TDP1 4629/4885
US-10125104-B2 Carotenoid derivative, pharmaceutically acceptable salt thereof, or pharmaceutically acceptable ester or amide thereof NR2E3, NR3C2, NR5A1 SRC 2231/4885L3MBTL1 4074/4885TDP1 4629/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 SRC 2139/4885L3MBTL1 1051/4885TDP1 254/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 SRC 2151/4885L3MBTL1 2873/4885TDP1 3796/4885

“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.