SCHEMBL7969540

SCHEMBL7969540

OCC1CC(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.49
SIGMAR1 Q99720 3/20 0.45
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ESR2 Q92731 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL7969541 1.00 SLC18A3 (0.49) SLC18A3SIGMAR1ESR1CYP3A4CYP2C9
SCHEMBL7936686 0.90 SLC18A3 (0.47) SLC18A3SIGMAR1ESR1CYP3A4CYP2C9
SCHEMBL26999319 0.85 SLC18A3 (0.56) SLC18A3SIGMAR1ESR1CYP3A4CYP2C9
SCHEMBL8029813 0.85 SLC18A3 (0.56) SLC18A3SIGMAR1ESR1CYP3A4CYP2C9
SCHEMBL8029809 0.85 SLC18A3 (0.56) SLC18A3SIGMAR1ESR1CYP3A4CYP2C9
SCHEMBL715645 0.82 ESR1 (0.53) ESR1CYP3A4CYP2C9ESR2
SCHEMBL13718761 0.82 SLC18A3 (0.45) SLC18A3SIGMAR1AKR1C3AKR1C1
Ammonia Solution, Strong SCHEMBL2030782 0.81 ESR1 (0.51) ESR1CYP3A4CYP2C9ESR2
SCHEMBL5756827 0.80 ESR2 (0.68) SLC18A3SIGMAR1ESR1CYP3A4CYP2C9
SCHEMBL10881534 0.80 ESR2 (0.68) SLC18A3SIGMAR1ESR1CYP3A4CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed
CN-110914238-B Compounds as antibiotics 安塔比奥公司 2023-06-20 CN disclosed
EP-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed
EP-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed
US-10059667-B2 Antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-3102198-A1 ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-12-14 EP disclosed
US-20160332968-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-11-17 US disclosed
US-20160332968-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-11-17 US disclosed
US-20160332968-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-11-17 US disclosed
WO-2015119899-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-08-13 WO disclosed
WO-2015119899-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-08-13 WO disclosed
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 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 (2 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-20160332968-A1 ANTIDIABETIC COMPOUNDS GPR119, GLP1R, GIPR SLC18A3 2395/4885SIGMAR1 2006/4885ESR1 1623/4885
US-10059667-B2 Antidiabetic compounds GPR119, GLP1R, GIPR SLC18A3 2395/4885SIGMAR1 2006/4885ESR1 1623/4885

“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.