SCHEMBL5496261

SCHEMBL5496261

Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
AKR1C3 P42330 2/20 0.48
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
ALB P02768 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX5 P09917 1/20 0.48
RARB P10826 1/20 0.48
ADRB3 P13945 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
NR1I3 Q14994 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
CXCL8 P10145 1/20 0.48
TSHR P16473 1/20 0.48
AKR1C2 P52895 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL196656 1.00 PTGS1 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL18725045 0.93 MEN1 (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6546117 0.93 PTGS1 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8755089 0.93 CYP1A2 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8382637 0.89 ALOX5AP (0.51) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL1131597 0.88 PTGS1 (0.56) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL18211412 0.87 NPC1 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL12893262 0.87 PTGS1 (0.40) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL18133126 0.87 HPGD (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL13719538 0.87 TEAD4 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 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 (2 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 PTGS1 4490/4885PTGS2 4225/4885LMNA 2744/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B PTGS1 4508/4885PTGS2 4235/4885LMNA 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.