SCHEMBL77609

SCHEMBL77609

ClOP(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL6035596 0.95 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL194803 0.85 TSHR (0.57) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL11687302 0.83 TSHR (0.55) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7934188 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
Bromide SCHEMBL11675628 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL17171596 0.80 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL28546168 0.78 TSHR (0.44) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL1117737 0.78 TSHR (0.55) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9052472 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
Carbon Monoxide SCHEMBL11680342 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320552-B Puerarin derivative with good biological activity and preparation method and application thereof 浙江药苑生物科技有限公司 2020-10-16 CN claimed
CN-109320552-A With active puerarin derivate of good biological and preparation method thereof and application 余代英 2019-02-12 CN claimed
US-20040127467-A1 Synthesis of pancratistatin prodrugs ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2004-07-01 US claimed
EP-1385846-A2 SYNTHESIS OF PANCRATISTATIN PRODRUGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA acting for and on behalf of ARIZONA STATE UNIVERSITY (US) 2004-02-04 EP claimed
WO-2002085848-A2 SYNTHESIS OF PANCRATISTATIN PRODRUGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2002-10-31 WO claimed
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
US-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
EP-4583865-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE Mydecine Innovations Group Inc. (US) 2025-07-16 EP disclosed
US-12358919-B2 Antibacterial compounds UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2025-07-15 US disclosed
US-20250207163-A1 METHODS AND APPARATUS FOR SYNTHESIZING NUCLEIC ACIDS TRILINK BIOTECHNOLOGIES, LLC 2025-06-26 US disclosed
US-20250121067-A1 WATER-SOLUBLE CANNABINOID PRODRUGS COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME TRAIT BIOSCIENCES INC (US) 2025-04-17 US disclosed
EP-4531836-A1 WATER-SOLUBLE CANNABINOID PRODRUGS COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME Trait Biosciences, Inc. (US) 2025-04-09 EP disclosed
WO-2002036576-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2002-05-10 WO disclosed
EP-1045853-A4 SYNTHESIS OF COMBRETASTATIN A-4 PRODRUGS AND TRANS-ISOMERS THEREO F UNIV ARIZONA STATE (US) 2002-04-17 EP disclosed
WO-2001081355-A1 COMBRETASTATIN A-1 PHOSPHATE AND COMBRETASTATIN B-1 PHOSPHATE PRODRUGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA,ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2001-11-01 WO disclosed
EP-1045853-A1 SYNTHESIS OF COMBRETASTATIN A-4 PRODRUGS AND TRANS-ISOMERS THEREO F ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA acting for and on behalf of ARIZONA STATE UNIVERSITY (US) 2000-10-25 EP disclosed
WO-1999035150-A1 SYNTHESIS OF COMBRETASTATIN A-4 PRODRUGS AND TRANS-ISOMERS THEREO F ARIZONA BOARD OF REGENTS, A BODY CORPORATE, ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1999-07-15 WO disclosed
US-4242479-A CATALYST OF ALUMINUM TRIHALIDE, ORGANOSILOXANE COMPOUND OR ETHER, MAGNESIUM ALCOHOLATE, TITANIUM-HALOGEN AND ORGANOALUMINUM COMPOUNDS SHOWA YUKA KABUSHIKI KAISHA (JP) 1980-12-30 US disclosed
US-4180636-A MAGNESIUM HALIDE, TITANIUM COMPOUND ELECTRON DONOR COMPOUND, TRIALKYL ALUMINUM CATALYST SHOWA DENKO KABUSHIKI KAISHA (JP) 1979-12-25 US disclosed
US-4163781-A 3-Amino-N-[(phosphonoamino)iminomethyl]-6-halopyrazinecarboxamide compounds, compositions and methods of use MERCK & CO., INC. (US) 1979-08-07 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-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole SLC6A3, SLC6A2, HTR2C TSHR 431/4885IDO1 4397/4885AGXT 1989/4885
US-20250121067-A1 WATER-SOLUBLE CANNABINOID PRODRUGS COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME CNR2, CNR1, BSG TSHR 3388/4885IDO1 1896/4885AGXT 1033/4885
US-12358919-B2 Antibacterial compounds ABCB11, CFTR, MRPL21 TSHR 4772/4885IDO1 1087/4885AGXT 740/4885
US-20250207163-A1 METHODS AND APPARATUS FOR SYNTHESIZING NUCLEIC ACIDS RNGTT, POLRMT, POLN TSHR 2116/4885IDO1 3983/4885AGXT 901/4885
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class HTR2C, SLC6A2, DRD2 TSHR 610/4885IDO1 3819/4885AGXT 1729/4885

“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.