SCHEMBL226001

SCHEMBL226001

C=Cc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPK1 P28482 2/20 0.51
MAPT P10636 6/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP19A1 P11511 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
POLB P06746 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
TLR9 Q9NR96 1/20 0.43
BACE1 P56817 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL16953181 0.87 BACE1 (0.52) ALDH1A1MAPK1MAPTKDM4ECYP3A4
SCHEMBL11849513 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTKDM4ECYP3A4
SCHEMBL1572278 0.85 ALDH1A1 (0.60) ALDH1A1MAPK1MAPTKDM4ECYP3A4
SCHEMBL15938083 0.82 CYP19A1 (0.51) ALDH1A1MAPK1MAPTKDM4ECYP3A4
SCHEMBL15938082 0.82 CYP19A1 (0.51) ALDH1A1MAPK1MAPTKDM4ECYP3A4
SCHEMBL8842472 0.81 CYP19A1 (0.50) ALDH1A1MAPK1MAPTKDM4ECYP3A4
SCHEMBL227066 0.80 TLR9 (0.60) ALDH1A1MAPK1MAPTCYP19A1NPC1
SCHEMBL11745232 0.80 CYP19A1 (0.72) ALDH1A1MAPK1MAPTCYP19A1NPC1
SCHEMBL227065 0.80 TLR9 (0.60) ALDH1A1MAPK1MAPTCYP19A1NPC1
SCHEMBL11745227 0.80 CYP19A1 (0.72) ALDH1A1MAPK1MAPTCYP19A1NPC1

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
CN-111196778-B Synthetic method of 3-ethylamino pyrrole compound 郑州轻工业大学 2022-08-19 CN disclosed
CN-111196778-A Synthetic method of 3-ethylamino pyrrole compound 郑州轻工业大学 2020-05-26 CN disclosed
CN-107641086-B Synthetic method of nitroolefin compound 浙江工业大学 2020-05-22 CN disclosed
CN-107641086-A A kind of synthetic method of nitro compds hydrocarbon compound 浙江工业大学 2018-01-30 CN disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
EP-2109603-A1 PROCESS FOR THE PREPARATION OF 8-HYDROXY-5-[(1R)-1-HYDROXY-2[[(1R)-2-(4-METHOXYPHENYL)-1-METHYLETHYL]AMINO]-ETHYL]-2(1H)-QUINOLINONE MONOHYDROCHLORIDE CHIESI FARMACEUTICI S.p.A. (IT) 2009-10-21 EP disclosed
WO-2008093188-A1 PROCESS FOR THE PREPARATION OF 8-HYDROXY-5-[(1R)-1-HYDROXY-2[[(1R)-2-(4-METHOXYPHENYL)-1-METHYLETHYL]AMINO]-ETHYL]-2(1H)-QUINOLINONE MONOHYDROCHLORIDE CHIESI FARMACEUTICI S.P.A. (IT) 2008-08-07 WO disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ALDH1A1 1111/4885MAPK1 1484/4885MAPT 3989/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ALDH1A1 2275/4885MAPK1 1633/4885MAPT 2593/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885MAPK1 1582/4885MAPT 3856/4885

“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.