SCHEMBL324195

SCHEMBL324195

CCCc1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NOS2 P35228 3/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
HTR1D P28221 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
HTR1B P28222 1/20 0.35

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
SCHEMBL30715778 0.86 HTT (0.52) HRH3KDM4EALDH1A1NOS2HTR1D
SCHEMBL27995904 0.85 HRH3 (0.54) HRH3KDM4EALDH1A1HTR1DMAPK1
SCHEMBL28349815 0.84 PTGS2 (0.46) HRH3NOS2HPGDNPC1MAPK1
SCHEMBL2046505 0.84 HTT (0.50) HRH3KDM4EALDH1A1HPGDNPC1
SCHEMBL19446551 0.84 HRH3 (0.37) HRH3KDM4EALDH1A1NOS2NOS3
SCHEMBL8733028 0.82 PTGS2 (0.48) HRH3HPGDNPC1MAPK1HTT
SCHEMBL2456019 0.82 PTGS2 (0.48) HRH3HPGDNPC1MAPK1HTT
SCHEMBL2452906 0.82 PTGS2 (0.48) HRH3HPGDNPC1MAPK1HTT
SCHEMBL1988145 0.82 PTGS2 (0.48) HRH3HPGDNPC1MAPK1HTT
Ammonia Solution, Strong SCHEMBL3636757 0.82 ALDH1A1 (0.43) HRH3KDM4EALDH1A1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108949262-A A kind of diesel energy-saving power type detersive and preparation method thereof 滨州仁泰化工有限公司 2018-12-07 CN claimed
CN-114133398-B Amino acid substituted acyclovir tricyclic nucleoside derivative and synthesis method and application thereof 中南民族大学 2022-11-22 CN disclosed
EP-2590973-B1 SOLIFENACIN SALTS CRYSTAL PHARMA SAU (ES) 2016-08-31 EP disclosed
US-8765785-B2 Solifenacin salts CRYSTAL PHARMA, S.A.U. (ES) 2014-07-01 US disclosed
US-20130203804-A1 SOLIFENACIN SALTS CRYSTAL PHARMA, S.A.U. (ES) 2013-08-08 US disclosed
EP-2590973-A1 SOLIFENACIN SALTS Crystal Pharma S.A.U (ES) 2013-05-15 EP disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 WO disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
WO-2012004264-A1 SOLIFENACIN SALTS RAGACTIVES, S.L.U. (ES) 2012-01-12 WO disclosed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP disclosed
US-6908924-B2 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts PHARMASSET, INC. (US) 2005-06-21 US disclosed
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2004-10-28 US disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP disclosed
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts GILEAD PHARMASSET LLC 2003-09-18 US disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
US-4213967-A Pesticide containing ignition inhibitor DR. WERNER FREYBERG, CHEMISCHE FABRIK DELITIA NACHF. (DE) 1980-07-22 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 (4 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-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts ENTPD5, CDA, ADA HRH3 983/4885KDM4E 1678/4885ALDH1A1 645/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP HRH3 1160/4885KDM4E 1112/4885ALDH1A1 2002/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS HRH3 2387/4885KDM4E 1415/4885ALDH1A1 14/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B HRH3 889/4885KDM4E 949/4885ALDH1A1 2341/4885

“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.