SCHEMBL5493944

SCHEMBL5493944

CCCc1ccc(C)cc1.CCCc1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2A6 P11509 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
LPL P06858 2/20 0.52
LIPG Q9Y5X9 2/20 0.52
IDO1 P14902 1/20 0.50
CNR2 P34972 2/20 0.49
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KCNH2 Q12809 1/20 0.46
MGLL Q99685 1/20 0.45
PLK1 P53350 1/20 0.45
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
CNR1 P21554 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
AGXT P21549 1/20 0.44

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
SCHEMBL326914 1.00 CYP1A2 (0.59) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL28572624 0.97 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL28182287 0.97 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
Hydrochloric Acid SCHEMBL7988640 0.97 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
Hydrogen Sulfide SCHEMBL28268146 0.97 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL30057561 0.97 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL6546987 0.97 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL27348511 0.97 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
Hydrogen Peroxide SCHEMBL27723527 0.95 CYP1A2 (0.54) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL6546453 0.92 CYP1A2 (0.52) CYP1A2CYP2A6TAAR1LPLLIPG

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 CYP1A2 1240/4885CYP2A6 1327/4885TAAR1 3913/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885TAAR1 3855/4885

“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.