SCHEMBL6142722

SCHEMBL6142722

CCCCc1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ THRB P10828 3/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.45
▸ PARP3 Q9Y6F1 1/20 0.45
▸ S1PR1 P21453 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ THRA P10827 2/20 0.42
▸ CA2 P00918 1/20 0.42
▸ PLA2G4A P47712 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42

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
SCHEMBL6142777 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL219423 0.89 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL10031845 0.86 AHR (0.46) ALDH1A1HPGDTHRBS1PR1S1PR3
SCHEMBL21170007 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL145761 0.85 LTA4H (0.52) ALDH1A1SMN1; SMN2HPGDLMNATHRB
SCHEMBL4454097 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL416529 0.84 RARB (0.56) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL847304 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL3073505 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL1872841 0.82 ESR1 (0.57) ALDH1A1LMNATHRBHSD17B10THRA

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
EP-0986540-B1 THE USE OF CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AS SODIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2005-02-16 — — EP claimed
US-6696442-B2 THERAPY OF DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS IN A MAMMAL SUFFERING THEREFROM BY ADMINISTERING CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES, WHICH ACT AS BLOCKERS OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2004-02-24 — — US claimed
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 — — US claimed
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof EURO-CELTIQUES S.A. 2003-12-04 — — US claimed
US-6613803-B1 Treating, preventing or ameliorating pain EURO-CELTIQUE S.A. (LU) 2003-09-02 — — US claimed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 — — US claimed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 — — US claimed
EP-0836591-B1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIV SASKATCHEWAN (CA) 2001-09-26 — — EP claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 — — US claimed
EP-1568690-A1 The use of carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones as sodium channel blockers Euro-Celtique S.A. (LU) 2005-08-31 — — EP disclosed
EP-0986540-B1 THE USE OF CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AS SODIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2005-02-16 — — EP disclosed
US-6696442-B2 THERAPY OF DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS IN A MAMMAL SUFFERING THEREFROM BY ADMINISTERING CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES, WHICH ACT AS BLOCKERS OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2004-02-24 — — US disclosed
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof EURO-CELTIQUES S.A. 2003-12-04 — — US disclosed
US-6638947-B2 Blockers of sodium channels; treatment of neuronal damage following global and focal ischemia, treatment or prevention of neurodegenerative conditions, pain EURO-CELTIQUE S.A. (LU) 2003-10-28 — — US disclosed
US-6613803-B1 Treating, preventing or ameliorating pain EURO-CELTIQUE S.A. (LU) 2003-09-02 — — US disclosed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 — — US disclosed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 — — 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 (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-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885SMN1; SMN2 87/4885HPGD 1599/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885SMN1; SMN2 87/4885HPGD 1599/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 ALDH1A1 97/4885SMN1; SMN2 78/4885HPGD 1752/4885

“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.

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