SCHEMBL1652005

SCHEMBL1652005

Cc1cc2c(c(C)c1O)CCC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
PBRM1 Q86U86 1/20 0.36
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 1/20 0.34
EEF2K O00418 1/20 0.34
SRC P12931 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAOA P21397 1/20 0.33
HPGD P15428 2/20 0.33
HSD17B1 P14061 2/20 0.33
ACHE P22303 1/20 0.32
RECQL P46063 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL25896993 0.85 PBRM1 (0.36) CYP2C9PBRM1KDM4EMEN1MAPT
SCHEMBL13930558 0.82 ALDH1A1 (0.35) PBRM1KDM4EALDH1A1HPGDRXRA
SCHEMBL7998384 0.78 PBRM1 (0.37) CYP2C9PBRM1KDM4EMAPTALDH1A1
SCHEMBL25119189 0.78 UPP1 (0.39) CYP2C9PBRM1KDM4EMEN1MAPT
SCHEMBL2492885 0.77 HSD17B10 (0.36) KDM4EALDH1A1HPGDPOLBTYMS
SCHEMBL7123504 0.77 ALDH1A1 (0.33) KDM4EMAPTALDH1A1HPGDPOLB
SCHEMBL13930790 0.76 KDM4E (0.32) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL9527144 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDGAAEPHX2
SCHEMBL17263924 0.75 ALDH1A1 (0.37) PBRM1KDM4EALDH1A1HPGDGAA
SCHEMBL30067255 0.74 PBRM1 (0.46) CYP2C9PBRM1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603887-B1 HIV REPLICATION INHIBITING INDANE SUBSTITUTED PYRIMIDINES TIBOTEC PHARM LTD (IE) 2011-04-20 EP disclosed
EP-1603887-B1 HIV REPLICATION INHIBITING INDANE SUBSTITUTED PYRIMIDINES TIBOTEC PHARM LTD (IE) 2011-04-20 EP disclosed
US-7585870-B2 HIV replication inhibiting pyrimidines and triazines TIBOTEC BVBA (BE) 2009-09-08 US disclosed
US-7585870-B2 HIV replication inhibiting pyrimidines and triazines TIBOTEC BVBA (BE) 2009-09-08 US disclosed
US-7585870-B2 HIV replication inhibiting pyrimidines and triazines TIBOTEC BVBA (BE) 2009-09-08 US disclosed
US-20060142571-A1 Hiv replication inhibiting pyrimidines and triazines JANSSEN SCIENCES IRELAND UC (IE) 2006-06-29 US disclosed
EP-1603887-A1 HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES Tibotec Pharmaceuticals Ltd. (IE) 2005-12-14 EP disclosed
WO-2004074261-A1 HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-09-02 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 (1 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-20060142571-A1 Hiv replication inhibiting pyrimidines and triazines TYMS, UMPS, DUT CYP2C9 1547/4885PBRM1 553/4885KDM4E 1079/4885

“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.