SCHEMBL1132527

SCHEMBL1132527

COC(=O)C=Cc1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.67
PKM P14618 1/20 0.62
SLC6A19 Q695T7 1/20 0.61
BACE1 P56817 1/20 0.57
TTR P02766 1/20 0.57
APP P05067 1/20 0.57
POLB P06746 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 3/20 0.54
PTPN1 P18031 1/20 0.54
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
TYR P14679 1/20 0.53
CA7 P43166 1/20 0.53

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
SCHEMBL322249 1.00 HSD17B3 (0.67) HSD17B3PKMSLC6A19BACE1TTR
SCHEMBL8315251 0.93 HSD17B3 (0.58) HSD17B3PKMSLC6A19BACE1TTR
SCHEMBL8315248 0.93 HSD17B3 (0.58) HSD17B3PKMSLC6A19BACE1TTR
SCHEMBL69618 0.88 TTR (0.66) TTRAPPMEN1KMT2AHTT
SCHEMBL17157974 0.84 HSD17B3 (0.63) HSD17B3PKMSLC6A19BACE1POLB
SCHEMBL17157975 0.84 HSD17B3 (0.63) HSD17B3PKMSLC6A19BACE1POLB
SCHEMBL3065424 0.83 CA12 (0.66) TTRAPPMEN1KMT2APTPN1
SCHEMBL2631340 0.83 CA12 (0.66) TTRAPPMEN1KMT2APTPN1
SCHEMBL30676338 0.83 CA12 (0.66) TTRAPPMEN1KMT2APTPN1
SCHEMBL4081652 0.83 PKM (0.70) HSD17B3PKMSLC6A19BACE1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN disclosed
US-11261190-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-03-01 US disclosed
US-11045796-B2 Process for producing aromatic compound, and palladium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 US disclosed
CN-107250112-B Fluorescent synthetic retinoids 高力研究有限公司 2021-04-23 CN disclosed
CN-108368142-B Method for producing aromatic compound and palladium complex 住友化学株式会社 2021-02-19 CN disclosed
US-20200283445-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-10 US disclosed
CN-110003271-A The preparation method of aromatic compound 住友化学株式会社 2019-07-12 CN disclosed
US-20180369799-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-12-27 US disclosed
EP-3385270-A1 METHOD FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX Sumitomo Chemical Company, Ltd (JP) 2018-10-10 EP disclosed
US-9982087-B2 Method for producing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-29 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed
US-5807866-A Process for preparing N-benzyl indoles THE UNIVERSITY OF EAST ANGLIA (GB) 1998-09-15 US disclosed
EP-0775694-A2 Process for preparing N-benzyl indoles University of East Anglia (GB) 1997-05-28 EP disclosed
US-4713486-A ANTIALLERGENS BEECHAM GROUP P.L.C. (GB) 1987-12-15 US disclosed
EP-0109225-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1985-08-28 EP disclosed
EP-0109225-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1984-05-23 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 (4 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-11045796-B2 Process for producing aromatic compound, and palladium complex DDT, DRD1, DRD2 HSD17B3 1284/4885PKM 1358/4885SLC6A19 2017/4885
US-20200283445-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE TPMT, DPYD, SLC10A1 HSD17B3 250/4885PKM 1459/4885SLC6A19 472/4885
US-20180369799-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX DDT, DRD1, DRD2 HSD17B3 1284/4885PKM 1358/4885SLC6A19 2017/4885
US-11261190-B2 Dihydropyrimidine compounds and uses thereof in medicine DPYD, TPMT, SLC10A1 HSD17B3 397/4885PKM 1590/4885SLC6A19 359/4885

“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.