SCHEMBL607927

SCHEMBL607927

Cc1ccc2c(ccc3cc(C)ccc32)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.71
CYP2A6 P11509 6/20 0.71
LMNA P02545 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 2/20 0.57
NCK1 P16333 1/20 0.44
BACE1 P56817 1/20 0.44
NQO2 P16083 1/20 0.44
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL597341 0.97 CYP1A2 (0.67) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL598308 0.92 CYP1A2 (0.60) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL26330826 0.89 CYP1A2 (0.57) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL598560 0.87 CYP1A2 (0.62) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL30540087 0.87 CYP2A6 (0.65) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL216959 0.87 CYP2A6 (0.65) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL2723074 0.85 CYP2A6 (0.52) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL598782 0.85 HPRT1 (0.64) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL20809388 0.85 CYP1A2 (0.52) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL22912586 0.85 CYP1A2 (0.52) CYP1A2CYP2A6LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7053436-A None JP disclosed
US-20220145161-A1 GREEN COMPOSITIONS FOR USE IN DOWNHOLE AND INDUSTRIAL APPLICATIONS DELTA-ENERGY GROUP, LLC (US) 2022-05-12 US disclosed
US-11029303-B2 PAH antibodies and uses thereof THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2021-06-08 US disclosed
CN-109593086-A A kind of new compound and the organic electroluminescence device using the compound 北京鼎材科技有限公司 2019-04-09 CN disclosed
WO-2018100019-A1 THIOETHER-COMPOUNDS MERCK PATENT GMBH (DE) 2018-06-07 WO disclosed
US-20170283546-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
WO-2016196638-A2 PAH ANTIBODIES AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2016-12-08 WO 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-RE42015-E1 N4-acylcytosine-1,3-dioxolane nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2010-12-28 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
JP-H0753436-A PHENANTHRENEDICARBALDEHYDE, ITS INTERMDIATE AND ITS PREPARATION SEKIYU SANGYO KASSEIKA CENTER 1995-02-28 JP 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-11029303-B2 PAH antibodies and uses thereof PAH, AHR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 567/4885CYP2A6 1092/4885LMNA 2227/4885
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 CYP1A2 810/4885CYP2A6 1101/4885LMNA 2607/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP CYP1A2 1161/4885CYP2A6 1193/4885LMNA 2283/4885
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 CYP1A2 592/4885CYP2A6 1024/4885LMNA 2068/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885LMNA 2835/4885

“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.