SCHEMBL4897654

SCHEMBL4897654

COC(C)c1ccc(OCC2CO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
TSHR P16473 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP1A2 P05177 1/20 0.55
PPARG P37231 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
PKM P14618 2/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.42
GRM2 Q14416 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
DRD4 P21917 3/20 0.38

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
SCHEMBL9511730 0.85 ALDH1A1 (0.57) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL7966299 0.85 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL3143396 0.85 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL234681 0.85 ALDH1A1 (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL7966302 0.85 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL17359243 0.84 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL50130 0.84 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL17356545 0.84 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL15246778 0.84 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL14388708 0.84 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109517082-B Non-long linear chain alkyl hydrophobically modified hydroxyethyl guar gum thickener and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-103013945-A Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2013-04-03 CN claimed
CN-116180172-A Copper plating solution additive for increasing regional polarization resistance, copper plating solution and application thereof 广东硕成科技股份有限公司 2023-05-30 CN disclosed
CN-109517082-B Non-long linear chain alkyl hydrophobically modified hydroxyethyl guar gum thickener and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-103013945-B Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2014-06-11 CN disclosed
CN-103013945-A Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2013-04-03 CN disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
EP-1833480-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2007-09-19 EP disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO disclosed
EP-0576617-B1 COMPOSITION AND METHOD CONTAINING OPTICALLY PURE (S) METOPROLOL SEPRACOR INC (US) 1996-08-07 EP disclosed
EP-0677291-A2 Composition and method containing optically pure (S) metoprolol SEPRACOR, INC. (US) 1995-10-18 EP disclosed
EP-0576617-A1 COMPOSITION AND METHOD CONTAINING OPTICALLY PURE (S) METOPROLOL. SEPRACOR INC (US) 1994-01-05 EP disclosed
WO-1992016197-A1 COMPOSITION AND METHOD CONTAINING OPTICALLY PURE (S) METOPROLOL SEPRACOR INC. (US) 1992-10-01 WO disclosed
EP-0179386-B1 1,4-DIHYDROPYRIDINE HYDROXYAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER AG (DE) 1989-06-07 EP disclosed
EP-0218068-A1 Dihydropyridine-2-hydroxyamines, process for their preparation and their use in medicaments BAYER AG (DE) 1987-04-15 EP disclosed
EP-0179386-A2 1,4-Dihydropyridine hydroxyamines, process for their preparation and their use as pharmaceutical agents BAYER AG (DE) 1986-04-30 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 (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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 ALDH1A1 1034/4885TP53 4868/4885TSHR 802/4885

“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.