SCHEMBL934830

SCHEMBL934830

O=Cc1ccc(OC2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP2A6 P11509 1/20 0.42
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PTPN1 P18031 1/20 0.41
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
APP P05067 1/20 0.40
ACACB O00763 1/20 0.40
ALDH1A3 P47895 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
STS P08842 1/20 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
SCHEMBL28376456 0.90 ALDH1A1 (0.56) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL20576262 0.90 ALDH1A1 (0.56) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL924708 0.90 ALDH1A1 (0.56) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL833489 0.87 ALDH1A1 (0.58) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL22821099 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL22821050 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL22820929 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL3636729 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL510213 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ECYP2A6FAAHEPHX2
SCHEMBL27704734 0.82 F2 (0.40) ALDH1A1KDM4EPTPN1HPGDHRH3

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 30 patents — showing the first 20. 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-11613538-B2 Method of inhibiting or reducing a viral infection PTC THERAPEUTICS, INC. (US) 2023-03-28 US disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 US disclosed
CN-110981876-B 8-substituted styrylxanthine derivatives and uses thereof 广东东阳光药业有限公司 2021-10-01 CN disclosed
EP-2434891-B9 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2021-05-05 EP disclosed
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION PTC THERAPEUTICS, INC. 2020-10-08 US disclosed
EP-2434891-B1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2020-07-22 EP disclosed
CN-110981876-A 8-substituted styrylxanthine derivatives and uses thereof 广东东阳光药业有限公司 2020-04-10 CN disclosed
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2016-11-24 US 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
EP-0986540-A4 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS INC (US) 2001-07-11 EP disclosed
EP-0986540-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-03-22 EP disclosed
WO-1998047869-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS, INC. (US) 1998-10-29 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 (8 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-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA ALDH1A1 3531/4885KDM4E 2347/4885CYP2A6 4572/4885
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA ALDH1A1 3531/4885KDM4E 2347/4885CYP2A6 4572/4885
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION SARS1, POLRMT, EIF2AK2 ALDH1A1 3626/4885KDM4E 3113/4885CYP2A6 3019/4885
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885KDM4E 3771/4885CYP2A6 2031/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885KDM4E 3771/4885CYP2A6 2031/4885
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 ALDH1A1 2761/4885KDM4E 1975/4885CYP2A6 3070/4885
US-11613538-B2 Method of inhibiting or reducing a viral infection SARS1, EIF2AK2, POLRMT ALDH1A1 3765/4885KDM4E 3202/4885CYP2A6 3692/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 ALDH1A1 97/4885KDM4E 3849/4885CYP2A6 1784/4885

“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.