SCHEMBL840890

SCHEMBL840890

[O]C(C1CCCCO1)C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.38
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2903157 0.92 HPGD (0.35) SLC6A3HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL8309067 0.80
SCHEMBL963750 0.75
SCHEMBL2578002 0.75 SLC6A3 (0.33) SLC6A3
SCHEMBL24351608 0.74 SLC6A3 (0.38) SLC6A3HPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL943444 0.74
SCHEMBL10323326 0.74
SCHEMBL14446370 0.74
SCHEMBL22414058 0.74 SLC6A3 (0.38) SLC6A3HPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12384257 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US claimed
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 EP claimed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US claimed
US-7635664-B2 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2009-12-22 US claimed
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-02 US claimed
US-20040110640-A1 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2004-06-10 US claimed
EP-1395565-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES Bayer CropScience AG (DE) 2004-03-10 EP claimed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 EP claimed
WO-2002096884-A2 SUBSTITUTED BENZOYLKETONES AS HERBICIDAL AGENTS FOR USE AS PLANT TREATMENT AGENT BAYER CROPSCIENCE AG (DE) 2002-12-05 WO claimed
WO-2002094792-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2002-11-28 WO claimed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 WO claimed
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO disclosed
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 EP disclosed
US-7670991-B2 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER CROPSCIENCE AG (DE) 2010-03-02 US disclosed
US-7635664-B2 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2009-12-22 US disclosed
EP-1395565-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES Bayer CropScience AG (DE) 2004-03-10 EP disclosed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 EP disclosed
WO-2002096884-A2 SUBSTITUTED BENZOYLKETONES AS HERBICIDAL AGENTS FOR USE AS PLANT TREATMENT AGENT BAYER CROPSCIENCE AG (DE) 2002-12-05 WO disclosed
WO-2002094792-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2002-11-28 WO disclosed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 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 (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-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 SLC6A3 3432/4885HPGD 60/4885ALDH1A1 854/4885
US-20040110640-A1 Herbicidal substituted benzoylpyrazoles DDT, GLRX3, CBR3 SLC6A3 1442/4885HPGD 2374/4885ALDH1A1 294/4885
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents DDT, CYP1B1, CYP1A1 SLC6A3 2150/4885HPGD 2146/4885ALDH1A1 291/4885

“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.