SCHEMBL256787

SCHEMBL256787

CC(=O)CCc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.63
▸ FFAR1 O14842 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ PDPK1 O15530 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.47
▸ HTR2A P28223 1/20 0.46

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
SCHEMBL10912165 0.89 ALDH1A1 (0.77) ALDH1A1FFAR1FFAR4KDM4ENPC1
SCHEMBL3907853 0.88 PLAAT3 (0.50) ALDH1A1FFAR1FFAR4PDPK1POLB
SCHEMBL11637741 0.84 MAPT (0.47) ALDH1A1POLBCTDSP1MAPT
SCHEMBL4484073 0.82 FFAR1 (0.53) FFAR1FFAR4PDPK1POLBCTDSP1
SCHEMBL5455 0.80 FFAR1 (0.71) ALDH1A1FFAR1FFAR4PDPK1MAPT
SCHEMBL363773 0.80 ALDH1A1 (0.65) ALDH1A1FFAR1KDM4ENPC1LMNA
SCHEMBL11444235 0.80 ALDH1A1 (0.65) ALDH1A1FFAR1KDM4ENPC1LMNA
Raspberryketone SCHEMBL43308 0.80 ALDH1A1 (0.65) ALDH1A1POLBKDM4ENPC1LMNA
SCHEMBL8214784 0.80 ALDH1A1 (0.65) ALDH1A1FFAR1FFAR4KDM4ENPC1
SCHEMBL11443198 0.80 ALDH1A1 (0.65) ALDH1A1POLBCTDSP1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119120338-A Prostaglandin reductase and glucose dehydrogenase co-expression recombinant bacterium and application thereof 淮阴工学院 2024-12-13 — — CN disclosed
CN-114380675-B Method for synthesizing aryl phenol by reacting halogenated aromatic hydrocarbon and phenol compound under induction of visible light 苏州大学 2024-06-11 — — CN disclosed
CN-111655700-B Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2023-07-18 — — CN disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 — — EP disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 — — EP disclosed
CN-113912556-B Synthesis method of alpha, beta-dicarbonyl-1, 2, 3-triazole compound 武汉工程大学 2023-06-09 — — CN disclosed
CN-114381441-A Enzymatic synthesis of chiral amino alcohol compounds 中国科学院天津工业生物技术研究所 2022-04-22 — — CN disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 — — US disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 — — US disclosed
CN-113912556-A Synthetic method of alpha, beta-dicarbonyl-1, 2, 3-triazole compound 武汉工程大学 2022-01-11 — — CN disclosed
EP-1724278-A1 NITROGENOUS FUSED-RING DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE DERIVATIVES, AND USE THEREOF AS DRUGS Kissei Pharmaceutical Co., Ltd. (JP) 2006-11-22 — — EP disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 — — WO disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — EP disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 — — 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885FFAR1 2494/4885FFAR4 2028/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885FFAR1 1617/4885FFAR4 2369/4885
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, ADIPOR1, GIPR ALDH1A1 461/4885FFAR1 147/4885FFAR4 305/4885

“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.

Send feedback