SCHEMBL460871

SCHEMBL460871

O=[N+]([O-])c1ccc(C(OC(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
PHLPP2 Q6ZVD8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
CES1 P23141 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.44
HSPB1 P04792 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL11396193 0.92 ALDH1A1 (0.56) ALDH1A1MAPTTDP1CYP1A2CYP3A4
SCHEMBL3763098 0.79 ALDH1A1 (0.44) ALDH1A1MAPTTDP1CYP1A2CYP3A4
SCHEMBL14556308 0.78 MAPT (0.50) ALDH1A1MAPTTDP1CYP1A2CYP3A4
SCHEMBL1047553 0.78 MAPT (0.70) ALDH1A1MAPTTDP1CYP1A2CYP3A4
SCHEMBL27909482 0.77 ALDH1A1 (0.72) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL22567 0.77 ALDH1A1 (0.72) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL3763101 0.77 ALDH1A1 (0.46) ALDH1A1MAPTTDP1CYP1A2CYP3A4
SCHEMBL18138449 0.76 ALDH1A1 (0.53) ALDH1A1MAPTTDP1CYP1A2CYP3A4
SCHEMBL12231908 0.75 MAPT (0.47) ALDH1A1MAPTTDP1CYP1A2CYP3A4
SCHEMBL11429229 0.74 ALDH1A1 (0.52) ALDH1A1MAPTTDP1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006311-B2 Compounds for use in preventing or treating cancer FUNDACIÓ HOSPITAL UNIVERSITARI VALL D'HEBRONINSTITUT DE RECERCA (ES) 2024-06-11 US disclosed
EP-4356909-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF Selabtec Sciences, SLU (ES) 2024-04-24 EP disclosed
EP-3645548-B1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC (KR) 2023-11-29 EP disclosed
EP-3271468-B1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION SL (ES) 2022-12-14 EP disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20220009957-A1 Methods for Preparing Bile Acids MEDYTOX INC. (KR) 2022-01-13 US disclosed
US-11161872-B2 Methods for preparing bile acids MEDYTOX INC. (KR) 2021-11-02 US disclosed
US-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER AMIRA THERAPEUTICS, S.L. (ES) 2021-07-29 US disclosed
US-20200369712-A1 METHODS FOR PREPARING BILE ACIDS WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2020-11-26 US disclosed
EP-3640236-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2020-04-22 EP disclosed
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-01-30 US disclosed
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 US disclosed
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE Hogberg, Thomas (DK) 2013-07-11 US disclosed
EP-2595948-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2013-05-29 EP disclosed
EP-2540764-A2 Poly(organophosphazene) composition for biomaterials Korea Institute of Science and Technology (KR) 2013-01-02 EP disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 US disclosed
WO-2012010172-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO PHARMA A/S (DK) 2012-01-26 WO disclosed
EP-2158254-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2010-03-03 EP disclosed
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-02-19 US disclosed
WO-2008153277-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 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 (10 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-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B ALDH1A1 4557/4885MAPT 1641/4885TDP1 3929/4885
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PGLS, NAPEPLD ALDH1A1 3212/4885MAPT 3007/4885TDP1 486/4885
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLCB3, INPP5D ALDH1A1 4053/4885MAPT 2670/4885TDP1 1874/4885
US-20220009957-A1 Methods for Preparing Bile Acids DHCR7, CYP46A1, CYP27A1 ALDH1A1 459/4885MAPT 2903/4885TDP1 2347/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 ALDH1A1 1005/4885MAPT 4025/4885TDP1 4383/4885
US-20200369712-A1 METHODS FOR PREPARING BILE ACIDS DHCR7, CYP46A1, CYP27A1 ALDH1A1 459/4885MAPT 2903/4885TDP1 2347/4885
US-11161872-B2 Methods for preparing bile acids DHCR7, CYP46A1, CYP27A1 ALDH1A1 459/4885MAPT 2903/4885TDP1 2347/4885
US-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER UGT1A3, UGT1A1, UGT1A6 ALDH1A1 14/4885MAPT 2700/4885TDP1 1650/4885
US-12006311-B2 Compounds for use in preventing or treating cancer UGT1A3, UGT1A1, UGT1A6 ALDH1A1 14/4885MAPT 2700/4885TDP1 1650/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 ALDH1A1 1582/4885MAPT 4184/4885TDP1 4223/4885

“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.