SCHEMBL5496466

SCHEMBL5496466

CCCc1ccccc1C.CCCc1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
DAO P14920 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CTBP2 P56545 1/20 0.42
CHRM2 P08172 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
P2RX7 Q99572 1/20 0.40
CYP2A13 Q16696 1/20 0.39

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
SCHEMBL29462889 1.00 TAAR1 (0.62) TAAR1KMT2ATSHRACHEDAO
SCHEMBL282555 1.00 TAAR1 (0.62) TAAR1KMT2ATSHRACHEDAO
Water SCHEMBL27889910 0.97 TAAR1 (0.60) TAAR1KMT2ATSHRACHEDAO
SCHEMBL2236079 0.91 TAAR1 (0.54) TAAR1KMT2ATSHRACHEDAO
SCHEMBL9360089 0.91 TAAR1 (0.54) TAAR1KMT2ATSHRDAOCA12
SCHEMBL8598519 0.87 TAAR1 (0.50) TAAR1KMT2ADAOCA12CA1
Phenol SCHEMBL28184726 0.87 TAAR1 (0.50) TAAR1KMT2ADAOCA12CA1
SCHEMBL6546756 0.86 TAAR1 (0.48) TAAR1KMT2ATSHRACHECTBP2
SCHEMBL143962 0.86 TAAR1 (0.71) TAAR1KMT2ATSHRACHEDAO
SCHEMBL29981544 0.85 TAAR1 (0.58) TAAR1KMT2ATSHRACHEDAO

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 TAAR1 3913/4885KMT2A 2085/4885TSHR 4176/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B TAAR1 3855/4885KMT2A 2092/4885TSHR 4165/4885

“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.