SCHEMBL4422822

SCHEMBL4422822

Cc1c(C)n(C(=O)O)c2c1ccc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ FDPS P14324 1/20 0.41
▸ FABP4 P15090 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL31668450 0.74 ALDH1A1 (0.54) L3MBTL1KDM4ETSHRCYP3A4MAPK1
SCHEMBL27504693 0.74 ALDH1A1 (0.54) L3MBTL1KDM4ETSHRCYP3A4MAPK1
SCHEMBL482904 0.74 ALDH1A1 (0.47) HPGDL3MBTL1KDM4ERAB9ATSHR
SCHEMBL9729537 0.71 KDM4E (0.46) L3MBTL1KDM4EFABP4TSHRCASP1
Chrysene SCHEMBL28689979 0.67 HPRT1 (0.67) HPGDL3MBTL1KDM4ETSHRHIF1A
Bicarbonate SCHEMBL5198606 0.66 TSHR (0.79) HPGDL3MBTL1KDM4ERAB9ATSHR
SCHEMBL16794706 0.66 MYC (0.46) HPGDKDM4ETSHRMAPK1HSD17B10
Phenanthrene SCHEMBL11152558 0.66 ALDH1A1 (0.63) HPGDL3MBTL1KDM4ETSHRHIF1A
SCHEMBL9697347 0.66 FDPS (0.45) HPGDL3MBTL1KDM4EFDPSRAB9A
Phenanthrene SCHEMBL28735113 0.65 ALDH1A1 (0.71) HPGDL3MBTL1KDM4ETSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646609-B1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2009-10-14 — — EP disclosed
US-7262306-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-08-28 — — US disclosed
US-20060199223-A1 storage stability; immunoassays ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-09-07 — — US disclosed
EP-1646609-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE Roche Diagnostics GmbH (DE) 2006-04-19 — — EP disclosed
WO-2005005385-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2005-01-20 — — WO disclosed
EP-1496050-A1 Novel chemiluminescent compounds and their use Roche Diagnostics GmbH (DE) 2005-01-12 — — EP 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-20060199223-A1 storage stability; immunoassays SHBG, SELL, XIAP HPGD 895/4885L3MBTL1 1754/4885KDM4E 3237/4885

“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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