SCHEMBL15068264

SCHEMBL15068264

CCCCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)nc1CCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.63
DHFR P00374 1/20 0.56
HSD11B1 P28845 1/20 0.49
KCNH2 Q12809 2/20 0.48
GCGR P47871 1/20 0.48
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SOAT1 P35610 3/20 0.44
TLR8 Q9NR97 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
SCHEMBL15068307 1.00 GPR84 (0.63) GPR84DHFRHSD11B1KCNH2GCGR
SCHEMBL626394 0.79 KCNH2 (0.53) DHFRKCNH2TDP1L3MBTL1TLR8
SCHEMBL27905824 0.79 KCNH2 (0.53) DHFRKCNH2TDP1L3MBTL1TLR8
SCHEMBL27863633 0.79 KCNH2 (0.53) DHFRKCNH2TDP1L3MBTL1TLR8
SCHEMBL13505969 0.76 GCGR (0.44) GPR84DHFRHSD11B1KCNH2GCGR
SCHEMBL8518275 0.76 TLR8 (0.50) DHFRKCNH2TDP1L3MBTL1TLR8
SCHEMBL12628223 0.75 HSD11B1 (0.62) GPR84HSD11B1KCNH2MEN1KMT2A
Biphenyl SCHEMBL5868587 0.75 ALDH1A1 (0.53) GPR84MEN1CYP1A2CYP2C9CYP2C19
Hexadecane SCHEMBL8524813 0.75 ALDH1A1 (0.53) GPR84MEN1CYP1A2CYP2C9CYP2C19
Biphenyl SCHEMBL27853080 0.75 ALDH1A1 (0.53) GPR84MEN1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172457-A1 Phosphorus-Containing Mixtures, Processes for Preparing Them and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-07-04 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 (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-20130172457-A1 Phosphorus-Containing Mixtures, Processes for Preparing Them and Use Thereof C9, PHOSPHO1, C5 GPR84 3173/4885DHFR 3169/4885HSD11B1 1004/4885

“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.