SCHEMBL1635669

SCHEMBL1635669

O=C(c1ccc(F)cc1)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
HSD11B1 P28845 1/20 0.52
ATM Q13315 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTSL P07711 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.48
CTSK P43235 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
BRD4 O60885 1/20 0.47
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3838580 0.90 PARP1 (0.63) PARP1ATMTDP1L3MBTL1CTSL
SCHEMBL9353591 0.87 CES2 (0.59) PARP1ATMTDP1L3MBTL1CTSL
SCHEMBL3838117 0.86 PARP1 (0.59) PARP1ATMTDP1L3MBTL1CTSL
SCHEMBL209624 0.86 ATM (0.67) ATMTDP1L3MBTL1CTSLMEN1
SCHEMBL241785 0.86 PARP1 (0.68) PARP1ATMTDP1L3MBTL1CTSL
SCHEMBL30153175 0.86 PARP1 (0.68) PARP1ATMTDP1L3MBTL1CTSL
SCHEMBL9125529 0.85 CES2 (0.59) PARP1HSD11B1ATML3MBTL1CTSL
SCHEMBL2013121 0.85 PARP1 (0.53) PARP1HSD11B1ATMTDP1L3MBTL1
SCHEMBL40538 0.84 ATM (0.71) PARP1ATMTDP1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL27869733 0.84 PARP1 (0.65) PARP1ATMTDP1L3MBTL1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303733-B1 FROM BISPHENOL COMPOUNDS AND DIFLUORO DIARYLACETYLENES AND/OR ETHYNYLATED BENZOPHENONES; DIELECTRICS EMPLOYED WITH A VARIETY OF MICROELECTRONIC DEVICES, FOR EXAMPLE, INTEGRATED CIRCUITS AND MULTICHIP MODULES. ALLIEDSIGNAL INC. 2001-10-16 US claimed
WO-2000031163-A2 POLY(ARYLENE ETHER) HOMOPOLYMER COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF ALLIEDSIGNAL INC. (US) 2000-06-02 WO claimed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
WO-2015158206-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 上海迪诺医药科技有限公司 2015-10-22 WO disclosed
EP-1171516-A1 POLYMERS HAVING BACKBONES WITH REACTIVE GROUPS EMPLOYED IN CROSSLINKING AS PRECURSORS TO NANOPOROUS THIN FILM STRUCTURES AlliedSignal Inc. (US) 2002-01-16 EP disclosed
US-6313185-B1 PROVIDING POLYMERIC STRANDS WHEREIN EACH OF THE POLYMERIC STRANDS INCLUDES THERMOLABILE PORTION, AND DEFINES A BACKBONE INCLUDING REACTIVE GROUPS; PROVIDING ENERGY TO CROSSLINK; PROVIDING ENERGY TO PARTIALLY DERGADE THERMOLABILE PORTION HONEYWELL INTERNATIONAL INC. 2001-11-06 US disclosed
US-6303733-B1 FROM BISPHENOL COMPOUNDS AND DIFLUORO DIARYLACETYLENES AND/OR ETHYNYLATED BENZOPHENONES; DIELECTRICS EMPLOYED WITH A VARIETY OF MICROELECTRONIC DEVICES, FOR EXAMPLE, INTEGRATED CIRCUITS AND MULTICHIP MODULES. ALLIEDSIGNAL INC. 2001-10-16 US disclosed
WO-2000061667-A1 POLYMERS HAVING BACKBONES WITH REACTIVE GROUPS EMPLOYED IN CROSSLINKING AS PRECURSORS TO NANOPOROUS THIN FILM STRUCTURES ALLIEDSIGNAL INC. (US) 2000-10-19 WO disclosed
US-6124421-A A SEMICONDUCTOR DEVICE COMPRISING A DIELECTRIC LAYER DISPOSED OVERLYING A SURFACE, COMPRISES A POLY(ARYLENE ETHER) ALLIEDSIGNAL INC. (US) 2000-09-26 US disclosed
WO-2000031163-A2 POLY(ARYLENE ETHER) HOMOPOLYMER COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF ALLIEDSIGNAL INC. (US) 2000-06-02 WO disclosed
EP-0425930-B1 Process for the preparation of symmetrical diarylacetylenes BAYER AG (DE) 1994-09-28 EP disclosed
US-5185454-A Reacting aryl bromide with acetylene in presence of palladium catalyst and nitrogen-containing heterocyclic base BAYER AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
EP-0425930-A2 Process for the preparation of symmetrical diarylacetylenes BAYER AG (DE) 1991-05-08 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 (1 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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 PARP1 2600/4885HSD11B1 361/4885ATM 3896/4885

“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.