SCHEMBL2104286

SCHEMBL2104286

C=Cc1cc(O)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
ESR2 Q92731 8/20 0.40
ESR1 P03372 7/20 0.40
ESRRB O95718 2/20 0.40
ESRRA P11474 2/20 0.40
NPC1 O15118 2/20 0.38
MTOR P42345 1/20 0.38
TRPA1 O75762 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KLF5 Q13887 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.35
ALOX15 P16050 1/20 0.35
SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL5172746 0.82 NPC1 (0.47) BACE1ESR2ESR1ESRRBESRRA
SCHEMBL289452 0.77 BACE1 (0.49) BACE1ESR2ESR1NPC1MTOR
SCHEMBL31302309 0.77 BACE1 (0.49) BACE1ESR2ESR1NPC1MTOR
SCHEMBL30152425 0.76 EGFR (0.47) BACE1ESR2ESR1MEN1KMT2A
SCHEMBL2787330 0.76 HSP90AA1 (0.41) MTORL3MBTL1ALOX15
SCHEMBL71628 0.76 EGFR (0.47) BACE1ESR2ESR1MEN1KMT2A
SCHEMBL29661857 0.76 HSP90AA1 (0.41) MTORL3MBTL1ALOX15
SCHEMBL27888312 0.74 ALDH1A1 (0.46) BACE1NPC1MTORTRPA1
SCHEMBL2602660 0.73 TP53 (0.40) ESR2ESR1NPC1TRPA1MEN1
SCHEMBL3677559 0.73 CA14 (0.41) ESR2ESR1ESRRBESRRAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260218-A Preparation method of clilboro 安庆百谊生物科技有限公司 2022-11-01 CN claimed
CN-115260218-A Preparation method of clilboro 安庆百谊生物科技有限公司 2022-11-01 CN disclosed
CN-115260218-A Preparation method of clilboro 安庆百谊生物科技有限公司 2022-11-01 CN disclosed
CN-104788412-B Aromatic polycyclic carboxylic acid derivatives 山东轩竹医药科技有限公司 2017-02-15 CN disclosed
CN-104788412-A Aromatic polycyclic carboxylic acid derivatives KBP BIOSCIENCES CO LTD 2015-07-22 CN disclosed
US-8952073-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2015-02-10 US disclosed
US-20140107166-A1 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-04-17 US disclosed
US-20130274344-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF UNIVERSITY OF OTTAWA (CA) 2013-10-17 US disclosed
US-8471073-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2013-06-25 US disclosed
US-20120190898-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF SHADNIA HOOMAN (CA) 2012-07-26 US disclosed
US-8158684-B2 Estrogenic compounds, process for their production and pharmaceutical uses thereof UNIVERSITY OF OTTAWA (CA) 2012-04-17 US disclosed
US-20110196045-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF UNIVERSITY OF OTTAWA (CA) 2011-08-11 US disclosed
US-20090234024-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF SHADNIA HOOMAN 2009-09-17 US 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 (5 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-20110196045-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF CYP19A1, ESR1, ESR2 BACE1 372/4885ESR2 3/4885ESR1 2/4885
US-20140107166-A1 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC1, HDAC5, HDAC11 BACE1 2561/4885ESR2 4175/4885ESR1 4677/4885
US-20120190898-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF CYP19A1, ESR1, ESR2 BACE1 372/4885ESR2 3/4885ESR1 2/4885
US-20130274344-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF CYP19A1, ESR1, ESR2 BACE1 216/4885ESR2 3/4885ESR1 2/4885
US-20090234024-A1 ESTROGENIC COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL USES THEREOF CYP19A1, ESR1, ESR2 BACE1 372/4885ESR2 3/4885ESR1 2/4885

“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.