SCHEMBL15074830

SCHEMBL15074830

CCOC(c1cccc(C)c1)c1c(C)nc2ccc(C(=O)N3CCCCC3)cn12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 10/20 0.44
▸ F2RL1 P55085 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL31522 0.89 F2RL1 (0.44) HPGDF2RL1ALDH1A1KDM4EHSD17B10
SCHEMBL15071150 0.85 HPGD (0.49) HPGDF2RL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL15071148 0.85 HPGD (0.49) HPGDF2RL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL31560 0.75 F2RL1 (0.63) HPGDF2RL1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL15071129 0.74 HPGD (0.50) HPGDF2RL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15071149 0.74 HPGD (0.58) HPGDF2RL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15071141 0.74 F2RL1 (0.61) HPGDF2RL1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL15071137 0.72 F2RL1 (0.59) HPGDF2RL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL15050221 0.70 F2RL1 (0.53) HPGDF2RL1ALDH1A1KDM4EHSD17B10
SCHEMBL15071135 0.69 F2RL1 (0.58) HPGDF2RL1ALDH1A1KDM4EHSD17B10

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-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 HPGD 80/4885F2RL1 1/4885ALDH1A1 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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