SCHEMBL2396464

SCHEMBL2396464

O=CCC(Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CPA1 P15085 7/20 0.61
CPA3 P15088 3/20 0.61
FOLH1 Q04609 3/20 0.61
CPB1 P15086 1/20 0.61
CPB2 Q96IY4 1/20 0.61
MME P08473 3/20 0.57
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.51

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
SCHEMBL2028390 0.85 SLC7A5 (0.53) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9531957 0.85 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27377152 0.85 CYP1A2 (0.70) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL2397308 0.84 CYP1A2 (0.48) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.83 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9007628 0.83 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL629350 0.83 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL252900 0.83 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27765199 0.83 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL490150 0.82 CYP1A2 (0.52) CYP1A2CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454502-B2 Synthesis of deuterated aldehydes ARIZONA BOARD OF REGENTS ON BEHALF OF ATHE UNIVERSITY OF ARIZONA (US) 2025-10-28 US disclosed
US-20220356139-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-11-10 US disclosed
WO-2021045879-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-03-11 WO disclosed
US-10259779-B2 Structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity WAYNE STATE UNIVERSITY (US) 2019-04-16 US disclosed
US-20180057448-A1 Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity WAYNE STATE UNIVERSITY 2018-03-01 US disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO 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 (7 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-10259779-B2 Structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity HDAC8, HDAC6, HDAC1 CYP1A2 2974/4885CPA1 2082/4885CPA3 3165/4885
US-20180057448-A1 Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity HDAC8, HDAC6, HDAC1 CYP1A2 2974/4885CPA1 2082/4885CPA3 3165/4885
US-12454502-B2 Synthesis of deuterated aldehydes ADH1C, ADH1A, CBR1 CYP1A2 518/4885CPA1 1426/4885CPA3 3679/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 CYP1A2 2899/4885CPA1 2755/4885CPA3 3329/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CYP1A2 180/4885CPA1 953/4885CPA3 739/4885
US-20220356139-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ADH1C, ADH1A, CBR1 CYP1A2 518/4885CPA1 1426/4885CPA3 3679/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E CYP1A2 3028/4885CPA1 2504/4885CPA3 3232/4885

“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.