SCHEMBL308460

SCHEMBL308460

O=CCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.62
ALDH1A1 P00352 4/20 0.62
CYP2C9 P11712 3/20 0.62
TSHR P16473 3/20 0.62
NFKB1 P19838 3/20 0.62
LMNA P02545 3/20 0.62
PMP22 Q01453 2/20 0.62
HPGD P15428 2/20 0.62
GLA P06280 1/20 0.62
HTR2C P28335 7/20 0.61
HTR1A P08908 5/20 0.59
HTR2A P28223 5/20 0.59
HTR2B P41595 4/20 0.59
CYP2D6 P10635 4/20 0.59
HTR1D P28221 4/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
HTR1B P28222 2/20 0.59
HTR7 P34969 2/20 0.59
HTR3E A5X5Y0 1/20 0.59

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
SCHEMBL29945167 1.00 NPSR1 (0.62) NPSR1ALDH1A1CYP2C9TSHRNFKB1
SCHEMBL11339569 0.83 HTR2C (0.64) NPSR1ALDH1A1CYP2C9TSHRNFKB1
Serotonin SCHEMBL7805171 0.83 NPSR1 (0.68) NPSR1ALDH1A1CYP2C9TSHRNFKB1
SCHEMBL266613 0.81 NPSR1 (0.68) NPSR1ALDH1A1CYP2C9TSHRNFKB1
SCHEMBL5424801 0.80 HTR2C (0.71) NPSR1ALDH1A1CYP2C9TSHRNFKB1
SCHEMBL9912222 0.80 GPR84 (0.67) HTR2CHTR1AHTR2AHTR2BHTR1D
SCHEMBL5793206 0.80 GPR84 (0.67) TSHRHTR2CHTR1AHTR2ASLC6A4
SCHEMBL27821134 0.80 GPR84 (0.67) TSHRLMNAHTR2CHTR1AHTR2A
SCHEMBL28534064 0.79 HTR2C (0.74) NPSR1ALDH1A1CYP2C9TSHRNFKB1
Serotonin SCHEMBL29164900 0.78 HTR2C (0.85) NPSR1ALDH1A1CYP2C9TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137591-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR PROMOTING ZINC SOLUBILIZATION AND ZINC UPTAKE IN PLANTS Tenfold Technologies, LLC (US) 2025-06-26 WO claimed
CN-118688333-A Marker related to allergic rhinitis and kit thereof 厦门市迈理奥科技有限公司 2024-09-24 CN claimed
EP-2164500-B1 THE USE OF ZEBURALINE FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR IMMUNE REJECTION OF TRANSPLANTS IDOGEN AB (SE) 2013-12-04 EP claimed
EP-2473199-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS Brain Watch Ltd. (IL) 2012-07-11 EP claimed
US-20120156139-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEROF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2012-06-21 US claimed
US-20110300142-A1 USE OF ZEBURALINE FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR IMMUNE REJECTION OF TRANSPLANTS IDOGEN AB (SE) 2011-12-08 US claimed
WO-2011024156-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2011-03-03 WO claimed
EP-2164500-A1 THE USE OF ZEBURALINE FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR IMMUNE REJECTION OF TRANSPLANTS Idogen AB (SE) 2010-03-24 EP claimed
WO-2008147283-A1 THE USE OF ZEBURALINE FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR IMMUNE REJECTION OF TRANSPLANTS SALFORD LEIF (SE) 2008-12-04 WO claimed
US-20080287774-A1 Magnetic Resonance Imaging and Spectroscopy Means and Methods Thereof BRAIN WATCH LTD. (IL) 2008-11-20 US claimed
US-7368434-B2 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2008-05-06 US claimed
US-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE VALLEE BERT L 2007-11-22 US claimed
EP-1077697-B1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ENDOWMENT FOR RES IN HUMAN BIO (US) 2006-07-19 EP claimed
EP-1645272-A2 Daidzin derivatives for the treatment of alcohol dependence or alcohol abuse THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2006-04-12 EP claimed
CN-1671373-A Compounds for inhibiting ALDH ENDOWMENT FOR RES IN HUMAN BIO (US) 2005-09-21 CN claimed
EP-1542675-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH The Endowment For Research In Human Biology, Inc. (US) 2005-06-22 EP claimed
US-20040068003-A1 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC, 2004-04-08 US claimed
WO-2004002470-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2004-01-08 WO claimed
EP-1077697-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2001-02-28 EP claimed
WO-1999058124-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-11-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ADH1A, ADH5, ADH1C NPSR1 982/4885ALDH1A1 23/4885CYP2C9 1334/4885
US-20040068003-A1 Compounds useful for the inhibition of ALDH ALDH2, ALDH1A1, ALDH3A1 NPSR1 1000/4885ALDH1A1 2/4885CYP2C9 1013/4885

“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.