SCHEMBL598782

SCHEMBL598782

Cc1ccc2c(ccc3c4ccccc4ccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.64
CYP2A6 P11509 6/20 0.62
TDP1 Q9NUW8 2/20 0.62
CYP1A2 P05177 8/20 0.59
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
CYP1B1 Q16678 2/20 0.58
HIF1A Q16665 1/20 0.58
TSHR P16473 1/20 0.55
HPGD P15428 3/20 0.53
MAOA P21397 2/20 0.51
CYP1A1 P04798 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47

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
SCHEMBL28996719 1.00 HPRT1 (0.64) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL216959 0.98 CYP2A6 (0.65) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL30540087 0.98 CYP2A6 (0.65) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL599225 0.91 HPRT1 (0.64) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL598203 0.90 ALDH1A1 (0.59) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL598440 0.90 ALDH1A1 (0.59) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL597341 0.88 CYP1A2 (0.67) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL597705 0.87 CYP2A6 (0.64) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
Pyrrole SCHEMBL27751261 0.86 CYP2A6 (0.52) HPRT1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL167985 0.86 CYP2A6 (0.64) HPRT1CYP2A6TDP1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227625-B2 Composite materials comprising mechanical ligands NANOCORE APS (DK) 2025-02-18 US disclosed
EP-4119598-A1 NANOCOMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS Nanocore ApS (DK) 2023-01-18 EP disclosed
EP-3737711-B1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2022-04-06 EP disclosed
EP-3737711-A1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS Nanocore Aps (DK) 2020-11-18 EP disclosed
US-20200354220-A1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2020-11-12 US disclosed
US-10793779-B2 Method for separating soluble organic matter in petroleum coke SHANDONG CHAMBROAD PETROCHEMICALS CO., LTD. (CN) 2020-10-06 US disclosed
US-20190078025-A1 METHOD FOR SEPARATING SOLUBLE ORGANIC MATTER IN PETROLEUM COKE SHANDONG CHAMBROAD PETROCHEMICALS CO., LTD. (CN) 2019-03-14 US disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120037174-A1 TOBACCO PRODUCT FILTERS VTU HOLDING GMBH (AT) 2012-02-16 US disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 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
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-5821387-A Polyarenes from aryl ketones with application to synthesis of crisnatol mesylate AEROJET-GENERAL CORPORATION (US) 1998-10-13 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 HPRT1 21/4885CYP2A6 1101/4885TDP1 1215/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP HPRT1 58/4885CYP2A6 1193/4885TDP1 2045/4885
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 HPRT1 183/4885CYP2A6 1024/4885TDP1 630/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B HPRT1 95/4885CYP2A6 1296/4885TDP1 1794/4885

“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.