SCHEMBL598398

SCHEMBL598398

c1ccc(-c2ccc3c(-c4ccccc4)cccc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.59
HSD17B2 P37059 4/20 0.59
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MPI P34949 1/20 0.50
ESR1 P03372 5/20 0.48
ESR2 Q92731 5/20 0.48
TNF P01375 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL29506864 0.94 HSD17B1 (0.56) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL16716611 0.91 HSD17B1 (0.51) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL21203331 0.91 CYP1A2 (0.52) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL17754448 0.91 HSD17B1 (0.51) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL31539907 0.91 CYP1A2 (0.52) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL21203600 0.89 HSD17B1 (0.50) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL21203531 0.89 HSD17B1 (0.50) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL8591977 0.89 HSD17B1 (0.50) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL12886004 0.89 HSD17B1 (0.50) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL29023201 0.88 HSD17B1 (0.51) HSD17B1HSD17B2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358541-B Chiral 4 benzodihydropyrone is formed using chiral pyrrolidine in the presence of phenol or thiophenol 帝斯曼知识产权资产管理有限公司 2017-11-03 CN claimed
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US claimed
CN-114874153-A Synthetic method of naphtho [2,1-d ] oxazole compound 湖南第一师范学院 2022-08-09 CN disclosed
CN-104684902-B Epoxide, preparation method, composition epoxy resin and its solidfied material DIC株式会社 2019-05-17 CN disclosed
CN-105358541-B Chiral 4 benzodihydropyrone is formed using chiral pyrrolidine in the presence of phenol or thiophenol 帝斯曼知识产权资产管理有限公司 2017-11-03 CN disclosed
CN-102952157-B Intermediates for the synthesis of benzindene prostaglandins and their preparation CHIROGATE INTERNATIONAL INC. (CN) 2016-04-13 CN disclosed
CN-105358541-A Formation of chiral 4-chromanone using chiral pyrrolidine in the presence of phenol or thiophenol DSM IP ASSETS BV 2016-02-24 CN disclosed
CN-104684902-A Epoxy compound and method for production thereof, and epoxy resin composition and cured product thereof DAINIPPON INK & CHEMICALS 2015-06-03 CN disclosed
CN-102952157-A Intermediates for the synthesis of benzindene prostaglandins and their preparation CHIROGATE INT INC 2013-03-06 CN disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
US-7105527-B2 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2006-09-12 US 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
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-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 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 (5 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B HSD17B1 3320/4885HSD17B2 3264/4885CA12 4444/4885
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 HSD17B1 574/4885HSD17B2 1159/4885CA12 3068/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP HSD17B1 2671/4885HSD17B2 2864/4885CA12 3389/4885
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 HSD17B1 747/4885HSD17B2 1006/4885CA12 709/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B HSD17B1 3287/4885HSD17B2 3221/4885CA12 4433/4885

“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.