SCHEMBL2471965

SCHEMBL2471965

COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@H]2O[C@H]21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.37
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
EPHX1 P07099 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
TLR3 O15455 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6985601 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2472077 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL5275472 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL4863606 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2475336 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL6985781 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2473015 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL7684277 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL4869775 0.87 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL4869825 0.87 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10485786-B2 Pharmaceutical composition for preventing or treating macular degeneration KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-11-26 US disclosed
US-20180221343-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-08-09 US disclosed
US-20140018402-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION Catholic University Industry Academic Cooperation Foundation (KR) 2014-01-16 US disclosed
EP-1546136-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2011-10-05 EP disclosed
EP-1330454-B1 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HITEK CO LTD (KR) 2010-05-19 EP disclosed
US-7420060-B2 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them SCHAEFFLER KG (DE) 2008-09-02 US disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
US-7279497-B2 Benzopyran derivatives substituted with secondary amines including imidazole, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-09 US disclosed
US-20070093481-A1 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containingthem DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2007-04-26 US disclosed
EP-1546136-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2007-01-24 EP disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 US disclosed
US-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-12-01 US disclosed
EP-1546136-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Korea Research Institute of Chemical Technology (KR) 2005-06-29 EP disclosed
WO-2004014898-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-02-19 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 (6 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-20140018402-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION PDE6D, PDE6C, PDE6G AKR1B1 793/4885HTT 750/4885LMNA 1058/4885
US-10485786-B2 Pharmaceutical composition for preventing or treating macular degeneration PDE6D, PDE6C, PDE6G AKR1B1 793/4885HTT 750/4885LMNA 1058/4885
US-20070093481-A1 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containingthem TNNT2, TNNI3, BRIX1 AKR1B1 3610/4885HTT 1475/4885LMNA 4250/4885
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 AKR1B1 1359/4885HTT 2152/4885LMNA 3619/4885
US-20180221343-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MACULAR DEGENERATION PDE6D, PDE6C, PDE6G AKR1B1 793/4885HTT 750/4885LMNA 1058/4885
US-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress FLT4, ALDH1A2, KDR AKR1B1 330/4885HTT 2319/4885LMNA 4091/4885

“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.