SCHEMBL566543

SCHEMBL566543

NCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.71
GAA P10253 1/20 0.69
MAPT P10636 1/20 0.69
MAOA P21397 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
LTA4H P09960 1/20 0.64
EPHX2 P34913 1/20 0.64

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
Hydrochloric Acid SCHEMBL4449735 0.98 MAOB (0.73) MAOBGAAMAPTMAOARAB9A
SCHEMBL20249529 0.91 FFAR1 (0.65) MAOBGAAMAPTMAOARAB9A
SCHEMBL3172626 0.89 LTA4H (0.70) MAOBGAAMAPTMAOARAB9A
SCHEMBL7281616 0.87 LTA4H (0.68) MAOBGAAMAPTMAOARAB9A
SCHEMBL28428692 0.85 MAOB (0.65) MAOBGAAMAPTMAOARAB9A
SCHEMBL13886600 0.85 NPC1 (0.76) RAB9ASMN1; SMN2LTA4H
SCHEMBL119690 0.84 MAOB (0.96) MAOBGAAMAPTMAOARAB9A
SCHEMBL10609652 0.83 LMNA (0.75) MAOBGAAMAPTMAOARAB9A
SCHEMBL339813 0.83 LMNA (0.82) MAOBGAAMAPTMAOARAB9A
SCHEMBL27367676 0.83 LMNA (0.82) MAOBGAAMAPTMAOARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4857522-A Derivatives of pravastatin for inhibiting cholesterol biosynthesis E. R. SQUIBB & SONS, INC. (US) 1989-08-15 US claimed
WO-2023213728-A1 SUBSTITUTED ARYL ESTERS OF COUMARIN-3-CARBOXYLIC ACID AND THEIR USE AS HOST CELL PROTEASES INHIBITORS Université de Liège (BE) 2023-11-09 WO disclosed
US-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 US disclosed
US-11530220-B2 Substituted imidazo[1,5-a]pyrazines and [1,2,4]triazolo[4,3-a]pyrazines for the modulation of AhR IDEAYA BIOSCIENCES, INC. (US) 2022-12-20 US disclosed
US-11530220-B2 Substituted imidazo[1,5-a]pyrazines and [1,2,4]triazolo[4,3-a]pyrazines for the modulation of AhR IDEAYA BIOSCIENCES, INC. (US) 2022-12-20 US disclosed
US-20210079001-A1 COMPOUNDS AND METHODS FOR THE MODULATION OF AHR IDEAYA BIOSCIENCES, INC. 2021-03-18 US disclosed
WO-2020252222-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2020-12-17 WO disclosed
EP-3670511-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-24 EP disclosed
WO-2019156989-A1 COMPOUNDS AND METHODS FOR THE MODULATION OF AhR IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 WO disclosed
WO-2019156989-A1 COMPOUNDS AND METHODS FOR THE MODULATION OF AhR IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 WO disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed
US-5155229-A Inhibit cholesterol biosynthesis, radioimmunoassay of pravastatin and its derivatives E. R. SQUIBB & SONS, INC. (US) 1992-10-13 US disclosed
US-5155229-A Inhibit cholesterol biosynthesis, radioimmunoassay of pravastatin and its derivatives E. R. SQUIBB & SONS, INC. (US) 1992-10-13 US disclosed
US-5047549-A Radioimmunoassay E. R. SQUIBB & SONS, INC. (US) 1991-09-10 US disclosed
US-5047549-A Radioimmunoassay E. R. SQUIBB & SONS, INC. (US) 1991-09-10 US disclosed
US-4868296-A 6-(1-carbamoyl-1-hydroxymethyl) penicillanic acid derivatives PFIZER INC. (US) 1989-09-19 US disclosed
US-4857522-A Derivatives of pravastatin for inhibiting cholesterol biosynthesis E. R. SQUIBB & SONS, INC. (US) 1989-08-15 US disclosed
US-4857522-A Derivatives of pravastatin for inhibiting cholesterol biosynthesis E. R. SQUIBB & SONS, INC. (US) 1989-08-15 US disclosed
US-4797394-A 6-(1-carbamoyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1989-01-10 US disclosed
EP-0220939-A1 6-(1-Carbamoyl-1-hydroxymethyl)penicillanic-acid derivatives PFIZER INC. (US) 1987-05-06 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 (3 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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC MAOB 4496/4885GAA 4876/4885MAPT 4012/4885
US-20210079001-A1 COMPOUNDS AND METHODS FOR THE MODULATION OF AHR AHR, ARNT, MTNR1A MAOB 276/4885GAA 3790/4885MAPT 4286/4885
US-11530220-B2 Substituted imidazo[1,5-a]pyrazines and [1,2,4]triazolo[4,3-a]pyrazines for the modulation of AhR AHR, ARNT, CYP1A1 MAOB 576/4885GAA 4567/4885MAPT 4286/4885

“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.