SCHEMBL15071120

SCHEMBL15071120

C/C=C/CC(O)c1cnc2ccc(C(=O)N3CCCCC3)cn12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.45
▸ HPGD P15428 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.38
▸ MKNK2 Q9HBH9 2/20 0.38
▸ F2RL1 P55085 1/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ GRM5 P41594 1/20 0.37

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
SCHEMBL15071108 0.77 ADORA2A (0.49) ADORA2AHPGDALDH1A1MKNK1MKNK2
SCHEMBL31554 0.71 MKNK1 (0.63) ADORA2AMKNK1MKNK2GRM5
SCHEMBL15071119 0.70 MKNK1 (0.52) ADORA2AHPGDMKNK1MKNK2
SCHEMBL31530 0.70 ADORA2A (0.49) ADORA2AHPGDALDH1A1MKNK1MKNK2
SCHEMBL31555 0.69 MKNK1 (0.62) ADORA2AHPGDMKNK1MKNK2GRM5
SCHEMBL15071118 0.69 MKNK1 (0.53) ADORA2AHPGDMKNK1MKNK2
SCHEMBL15071123 0.68 HPGD (0.56) ADORA2AHPGDALDH1A1MKNK1MKNK2
SCHEMBL15071125 0.68 PLA2G7 (0.54) ADORA2AMKNK1MKNK2F2RL1
SCHEMBL15071121 0.67 HPGD (0.54) ADORA2AHPGDALDH1A1MKNK1MKNK2
SCHEMBL15071117 0.66 HPGD (0.50) ADORA2AHPGDALDH1A1MKNK1MKNK2

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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 ADORA2A 1056/4885HPGD 80/4885ALDH1A1 3710/4885

“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.

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