SCHEMBL4581933

SCHEMBL4581933

CC(CCC(N)=O)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.71
ESR2 Q92731 9/20 0.71
CYP3A4 P08684 5/20 0.71
ALDH1A1 P00352 3/20 0.71
CHEK1 O14757 1/20 0.47
FYN P06241 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
GRK5 P34947 1/20 0.47
MAP2K2 P36507 1/20 0.47
MAPK8 P45983 1/20 0.47
CDK8 P49336 1/20 0.47
RPS6KA3 P51812 1/20 0.47
PRKX P51817 1/20 0.47
JAK3 P52333 1/20 0.47
LIMK1 P53667 1/20 0.47
BTK Q06187 1/20 0.47
TYRO3 Q06418 1/20 0.47

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
SCHEMBL75695 0.83 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL2095353 0.83 CYP3A4 (0.53) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL18470082 0.81 ESR1 (0.71) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL9398515 0.81 ESR1 (0.55) ESR1ESR2CYP3A4ALDH1A1HSD17B10
Acetic Acid SCHEMBL11110259 0.80 ESR1 (0.93) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL10410107 0.80 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1HSD17B10
SCHEMBL9702091 0.80 CHEK1 (0.57) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL730689 0.80 ESR1 (0.67) ESR1ESR2CYP3A4ALDH1A1HSD17B10
Propionic Acid SCHEMBL5027134 0.79 ESR1 (0.90) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL3125861 0.79 ESR1 (0.67) ESR1ESR2CYP3A4ALDH1A1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-20170035892-A1 Small Molecule Drug Conjugates ETH ZURICH (CH) 2017-02-09 US disclosed
US-20080312349-A1 METHOD OF MAKING AND USING MEMBRANE GENERAL ELECTRIC COMPANY (US) 2008-12-18 US disclosed
US-20080207822-A1 COMPOSITION AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
US-20080203012-A1 MEMBRANE, APPARATUS, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
US-5110897-A Food and beverage containers GENERAL ELECTRIC COMPANY (US) 1992-05-05 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 (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-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ESR1 2412/4885ESR2 3065/4885CYP3A4 1679/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A ESR1 4051/4885ESR2 3899/4885CYP3A4 2182/4885
US-20170035892-A1 Small Molecule Drug Conjugates CA9, CA11, CA4 ESR1 4056/4885ESR2 4031/4885CYP3A4 3254/4885

“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.