SCHEMBL598990

SCHEMBL598990

C[C@@H]1C[C@H](C)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
APLNR P35414 1/20 0.35
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
PPP1CA P62136 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PAK1 Q13153 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL3783240 1.00 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL3783239 1.00 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL597801 1.00 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL910279 0.85
SCHEMBL1876458 0.84 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL10795697 0.84 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL20381172 0.82 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL20381165 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24786145 0.80 ALDH1A1 (0.34) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL1358694 0.80 APLNR (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10403821-B2 Method of making an electrode CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2019-09-03 US disclosed
US-20170194566-A1 METHOD OF MAKING AN ELECTRODE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-07-06 US 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
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2009-07-09 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
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-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 (6 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 ALDH1A1 2325/4885LMNA 2744/4885CYP3A4 397/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP ALDH1A1 2300/4885LMNA 2515/4885CYP3A4 447/4885
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 ALDH1A1 645/4885LMNA 2607/4885CYP3A4 740/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP ALDH1A1 2002/4885LMNA 2283/4885CYP3A4 826/4885
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 ALDH1A1 14/4885LMNA 2068/4885CYP3A4 1525/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B ALDH1A1 2341/4885LMNA 2835/4885CYP3A4 369/4885

“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.