SCHEMBL30234472

SCHEMBL30234472

CCOC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.73
▸ ADRB1 P08588 3/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ TSHR P16473 2/20 0.73
▸ ADRB3 P13945 2/20 0.73
▸ CYP2D6 P10635 2/20 0.73
▸ OPRK1 P41145 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ ALOX15 P16050 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ PTGS1 P23219 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ ADRA1D P25100 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ ADRA1B P35368 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57

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 SCHEMBL31019636 0.89 ADRB2 (0.68) ADRB2ADRB1CYP1A2TSHRADRB3
Hydrochloric Acid SCHEMBL31148312 0.87 ADRB2 (0.76) ADRB2ADRB1CYP1A2TSHRADRB3
SCHEMBL30234234 0.85 ADRB2 (0.59) ADRB2ADRB1CYP1A2TSHRADRB3
SCHEMBL21793189 0.85 ADRB2 (0.76) ADRB2ADRB1CYP1A2TSHRADRB3
Practolol SCHEMBL39925 0.84 ADRB2 (1.00) ADRB2ADRB1CYP1A2TSHRADRB3
Practolol SCHEMBL6509191 0.84 ADRB2 (1.00) ADRB2ADRB1CYP1A2TSHRADRB3
Practolol SCHEMBL39926 0.84 ADRB2 (1.00) ADRB2ADRB1CYP1A2TSHRADRB3
Practolol SCHEMBL9117980 0.83 ADRB2 (0.97) ADRB2ADRB1CYP1A2TSHRADRB3
SCHEMBL14307663 0.83 ADRB2 (0.78) ADRB2ADRB1CYP1A2TSHRADRB3
SCHEMBL10877050 0.83 KMT2A (0.70) ADRB2ADRB1CYP1A2TSHRADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170098-A1 MOLECULAR JACKHAMMER FOR MECHANICAL DESTRUCTION OF CELLULAR STRUCTURE WILLIAM MARSH RICE UNIVERSITY (US) 2025-05-29 — — US disclosed
EP-4482572-A2 MOLECULAR JACKHAMMER FOR MECHANICAL DESTRUCTION OF CELLULAR STRUCTURE William Marsh Rice University (US) 2025-01-01 — — EP disclosed
WO-2024148293-A1 CHARGED PI-CONJUGATED MOLECULES FOR THE TREATMENT OF MICROBIAL INFECTIONS WILLIAM MARSH RICE UNIVERSITY (US) 2024-07-11 — — WO disclosed
WO-2023164663-A2 MOLECULAR JACKHAMMER FOR MECHANICAL DESTRUCTION OF CELLULAR STRUCTURE WILLIAM MARSH RICE UNIVERSITY (US) 2023-08-31 — — WO disclosed
US-20230032082-A1 SPATIAL BARCODING CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-02 — — 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 (1 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-20250170098-A1 MOLECULAR JACKHAMMER FOR MECHANICAL DESTRUCTION OF CELLULAR STRUCTURE HSPE1, ANXA4, MDH1 ADRB2 4603/4885ADRB1 4613/4885CYP1A2 4850/4885

“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.

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