SCHEMBL1306452

SCHEMBL1306452

[C]#CCCCCc1cccc2c1ccc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.44
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL1611571 0.90 GPR84 (0.44) TDP1GPR84SIGMAR1CYP1A2CYP2C9
SCHEMBL1610299 0.89 GPR84 (0.43) TDP1GPR84SIGMAR1CYP1A2CYP2C9
SCHEMBL1612033 0.89 GPR84 (0.43) TDP1GPR84SIGMAR1CYP1A2CYP2C9
SCHEMBL1612397 0.85 CYP1A2 (0.46) TDP1GPR84SIGMAR1CYP1A2CYP2C9
SCHEMBL7176829 0.84 HPRT1 (0.44) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL7184367 0.83 HPRT1 (0.42) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL7176160 0.79 HPRT1 (0.45) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL1611544 0.79 MTNR1A (0.36) ALDH1A1GPR84SIGMAR1MTNR1A
SCHEMBL3033001 0.79 HPRT1 (0.48) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL303467 0.79 HPRT1 (0.48) HPRT1ALDH1A1CYP2A6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
EP-1745014-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105736-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA HPRT1 3624/4885ALDH1A1 939/4885CYP2A6 407/4885

“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.