SCHEMBL81530

SCHEMBL81530

OCC#Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP12 P39900 1/20 0.47
MELK Q14680 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 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
SCHEMBL11557111 0.94 MMP2 (0.43) MMP2MMP12MELKHRH3GABRP
SCHEMBL11548458 0.88 HRH3 (0.44) MMP2MMP12MELKHRH3GABRP
SCHEMBL6446069 0.87 MMP2 (0.55) MMP2MMP12MELKHRH3GABRP
SCHEMBL12139282 0.82 GABRP (0.43) MMP2MMP12HRH3GABRPGABRD
SCHEMBL9672111 0.80 MMP2 (0.50) MMP2MMP12MELKHRH3GABRP
SCHEMBL16685905 0.79 GABRP (0.47) MMP2MMP12HRH3GABRPGABRD
SCHEMBL508102 0.78 PYCR1 (0.41) PYCR1CYP2A6ALDH1A1ACACBLMNA
SCHEMBL11214760 0.78 APP (0.50) MMP2MMP12MELKHRH3GABRP
SCHEMBL17971132 0.77 PYCR1 (0.38) PYCR1CYP2A6ACACBLMNAKDM4E
SCHEMBL11555881 0.77 GABRP (0.40) HRH3GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 US disclosed
CN-110467514-B Preparation method of alpha-halogenated unsaturated aldehyde ketone 上海应用技术大学 2023-03-28 CN disclosed
CN-110483430-B Preparation method of isoxazole derivative 上海应用技术大学 2023-02-10 CN disclosed
CN-114014886-B Silicon fused ring naphthopyran photochromic compound and preparation method and application thereof 南开大学 2022-12-27 CN disclosed
CN-110483429-B Preparation method of 3, 5-disubstituted-4, 5-dihydroisoxazole 上海应用技术大学 2022-10-14 CN disclosed
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT FUDAN UNIVERSITY (CN) 2022-04-28 US disclosed
EP-1032584-A1 NOVEL 19-NOR STEROIDS SUBSTITUTED IN POSITION 11BETA, PREPARATION METHOD AND INTERMEDIATES, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL (FR) 2000-09-06 EP disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
WO-1999025725-A1 NOVEL 19-NOR STEROIDS SUBSTITUTED IN POSITION 11β, PREPARATION METHOD AND INTERMEDIATES, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL (FR) 1999-05-27 WO disclosed
US-5561143-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
US-5534532-A ANTICHOLESTEROL AGENTS, SQUALENE SYNTHASE INHIBITOR RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5455260-A Anticholesterol agents; reduction of serum cholesterol without reducing mevalonic metabolite synthesis; side effect RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
WO-1994027601-A1 ALIPHATIC AMINO BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-12-08 WO disclosed
EP-0294228-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-08-26 EP disclosed
EP-0294228-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed
US-4322432-A Cyclopropanecarboxylic acid alkynyl esters, processes for producing them, and their use as pesticides CIBA-GEIGY CORPORATION (US) 1982-03-30 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 (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-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 MMP2 2193/4885MMP12 2582/4885MELK 2945/4885
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT SOD1, ALDH2, AOC2 MMP2 2302/4885MMP12 1800/4885MELK 2079/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 MMP2 2193/4885MMP12 2582/4885MELK 2945/4885
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 MMP2 2545/4885MMP12 3234/4885MELK 2837/4885

“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.