SCHEMBL809531

SCHEMBL809531

O=C1CCC/C1=C\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
HTT P42858 2/20 1.00
CYP1A2 P05177 4/20 0.74
F3 P13726 2/20 0.74
AKR1C3 P42330 1/20 0.67
AKR1C1 Q04828 1/20 0.67
MGAM O43451 3/20 0.61
GAA P10253 3/20 0.61
SI P14410 3/20 0.61
MGAM2 Q2M2H8 3/20 0.61
MAPT P10636 5/20 0.59
MIF P14174 1/20 0.59
HPGD P15428 4/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
EGFR P00533 1/20 0.53

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
SCHEMBL812295 1.00 ALDH1A1 (1.00) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL1524525 1.00 ALDH1A1 (1.00) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL10734311 0.96 ALDH1A1 (0.92) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL979654 0.96 ALDH1A1 (0.92) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL979655 0.96 ALDH1A1 (0.92) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL9047295 0.94 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL11807335 0.94 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL10959168 0.94 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL9047298 0.94 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL11807333 0.94 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119454694-A Preparation method and application of diaza-trioxyalkane-dione derivatives 中国人民解放军陆军军医大学 2025-02-18 CN disclosed
CN-117701516-A Alkene reductase, enzyme preparation, nucleic acid, expression vector, preparation method and application 河北工业大学 2024-03-15 CN disclosed
CN-114349585-A Catalytic asymmetric synthesis method and application of chiral alpha-deuterated pyrrolidine compound 武汉大学 2022-04-15 CN disclosed
CN-109111334-B Chiral 2-arylmethylene cycloalkanol and asymmetric synthesis method thereof 三峡大学 2020-07-28 CN disclosed
CN-109438206-A A method of the asymmetric single carbonyl curcumin analog intermediate of synthesis 温州医科大学 2019-03-08 CN disclosed
CN-109111334-A A kind of chirality 2- aryl methylene cyclic alkanol and its method of asymmetric synthesis 三峡大学 2019-01-01 CN disclosed
US-9051656-B2 Electrochemical synthesis of aryl-alkyl surfacant precursor CERAMATEC, INC. (US) 2015-06-09 US disclosed
US-9051656-B2 Electrochemical synthesis of aryl-alkyl surfacant precursor CERAMATEC, INC. (US) 2015-06-09 US disclosed
WO-2011133906-A2 ELECTROCHEMICAL SYNTHESIS OF ARYL-ALKYL SURFACTANT PRECURSOR CERAMATEC, INC. (US) 2011-10-27 WO disclosed
US-20110226633-A1 ELECTROCHEMICAL SYNTHESIS OF ARYL-ALKYL SURFACANT PRECURSOR ENLIGHTEN INNOVATIONS INC. (CA) 2011-09-22 US disclosed
US-20110226633-A1 ELECTROCHEMICAL SYNTHESIS OF ARYL-ALKYL SURFACANT PRECURSOR ENLIGHTEN INNOVATIONS INC. (CA) 2011-09-22 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-5281622-A Administering to mammals as antiinflammatory agent UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1994-01-25 US disclosed
US-5250735-A Antitumor or antiinflammatory agents, analgesics UNIVERSITY OF PITTSBURGH (US) 1993-10-05 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 (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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 ALDH1A1 1287/4885HTT 2422/4885CYP1A2 82/4885

“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.