SCHEMBL502934

SCHEMBL502934

CC[C@@H](CO)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
TRPA1 O75762 5/20 0.52
CCR5 P51681 1/20 0.44
HKDC1 Q2TB90 1/20 0.42
AOC3 Q16853 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL502935 1.00 LMNA (0.54) LMNATRPA1CCR5HKDC1AOC3
SCHEMBL2339413 1.00 LMNA (0.54) LMNATRPA1CCR5HKDC1AOC3
SCHEMBL27361066 0.98 LMNA (0.52) LMNATRPA1CCR5HKDC1AOC3
Oxalic Acid SCHEMBL6423864 0.92 LMNA (0.47) LMNATRPA1CCR5GABBR2GABBR1
SCHEMBL148756 0.85 TRPA1 (0.48) LMNATRPA1GABBR2GABBR1TAAR1
SCHEMBL169508 0.85 LMNA (0.56) LMNATRPA1CCR5HKDC1AOC3
Hypochlorous Acid SCHEMBL11415854 0.83 LMNA (0.56) LMNATRPA1CCR5HKDC1AOC3
Ammonia Solution, Strong SCHEMBL1640901 0.82 LMNA (0.54) LMNATRPA1CCR5HKDC1AOC3
SCHEMBL1144766 0.82 AOC3 (0.47) LMNATRPA1AOC3ESR1ESR2
SCHEMBL1144424 0.82 TRPA1 (0.50) LMNATRPA1CCR5HKDC1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421200-B2 Manganese-catalysed hydrogenation of esters UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2025-09-23 US disclosed
CN-120136669-A Manganese catalyzed ester hydrogenation 圣安德鲁斯大学董事会 2025-06-13 CN disclosed
EP-3737663-B1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIV COURT UNIV ST ANDREWS (GB) 2023-02-22 EP disclosed
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 US disclosed
EP-3737663-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS University Court of The University of St Andrews (GB) 2020-11-18 EP disclosed
CN-111587238-A Manganese catalyzed ester hydrogenation 圣安德鲁斯大学董事会 2020-08-25 CN disclosed
US-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
EP-1126836-B1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-02-14 EP disclosed
CN-1092639-C Benzene-fused heterocyclic derivative and use thereof TORAY INDUSTRIES (JP) 2002-10-16 CN disclosed
EP-1126836-A4 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2002-09-04 EP disclosed
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-1126836-A1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2001-08-29 EP disclosed
US-6194458-B1 1-(2-METHOXYPHENYL)-1-OXO-2-AZA-(S)-4-I-BUTYL-4-PHENYLBUTANE, FOR EXAMPLE; TREATING VARIOUS CONDITIONS INCLUDING TRANSPLANTATION REJECTION OF ORGANS OR TISSUES IN A PATIENT; IMMUNOSUPPRESSANT COMPOSITIONS MERCK & CO., INC. 2001-02-27 US disclosed
WO-2000025774-A1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
CN-1148381-A Benzene-fused heterocyclic derivative and use thereof TORAY INDUSTRIES (JP) 1997-04-23 CN disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 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-12421200-B2 Manganese-catalysed hydrogenation of esters ADH5, HDHD5, ADH1A LMNA 3128/4885TRPA1 4233/4885CCR5 2948/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R LMNA 4479/4885TRPA1 776/4885CCR5 1488/4885
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A LMNA 3128/4885TRPA1 4233/4885CCR5 2948/4885

“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.