SCHEMBL3304359

SCHEMBL3304359

C=C(C(=O)OC)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28192369 0.81 KMT2A (0.45) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL30845826 0.81 RAB9A (0.46) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8214376 0.81 RAB9A (0.46) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL30845827 0.81 RAB9A (0.46) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL27792680 0.81 NPC1 (0.51) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19545436 0.81 TSHR (0.50) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27742395 0.80 NPC1 (0.36) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL1426459 0.79 NPC1 (0.46) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL6237542 0.79 TSHR (0.41) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL27761128 0.79 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612156-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-09-10 EP disclosed
US-20240287129-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2024-08-29 US disclosed
US-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 US disclosed
US-11981704-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-05-14 US disclosed
WO-2024097296-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2022-01-06 US disclosed
US-11136349-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-10-05 US disclosed
CN-110156649-A A kind of method that silver catalysis prepares 3- phenyl -2- phenyl disulphanes Tri- n -butyltin methacrylate compound 浙江农林大学暨阳学院 2019-08-23 CN disclosed
US-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2018-06-28 US disclosed
CN-108025002-A Six-membered azaheterocyclic containing opioid receptor modulating compounds, methods of use and preparation thereof 特维娜有限公司 2018-05-11 CN disclosed
CN-107531660-A α cinnamide compounds and composition as HDAC8 inhibitor 福马治疗股份有限公司 2018-01-02 CN disclosed
WO-2016196931-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-08 WO disclosed
CN-103429079-A Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION INC 2013-12-04 CN disclosed
US-8293803-B2 Retinoid compounds and their use REINNERVATE LIMITED (GB) 2012-10-23 US disclosed
US-20100093088-A1 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2010-04-15 US disclosed
EP-2130908-A2 Retinoid compounds and their use REINNERVATE LIMITED (GB) 2009-12-09 EP disclosed
CN-101511993-A Retinoid compounds and their use REINNERVATE LTD (GB) 2009-08-19 CN disclosed
EP-2054504-A2 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2009-05-06 EP disclosed
WO-2008025965-A2 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2008-03-06 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-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT RAB9A 2656/4885NPC1 3747/4885KMT2A 3921/4885
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT RAB9A 2656/4885NPC1 3747/4885KMT2A 3921/4885
US-20240287129-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT RAB9A 2656/4885NPC1 3747/4885KMT2A 3921/4885
US-11981704-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT RAB9A 2656/4885NPC1 3747/4885KMT2A 3921/4885
US-11136349-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT RAB9A 2656/4885NPC1 3747/4885KMT2A 3921/4885
US-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 RAB9A 347/4885NPC1 34/4885KMT2A 4121/4885

“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.