SCHEMBL14870530

SCHEMBL14870530

Cn1c2ccccc2c2cc(Nc3ccccc3C(=O)O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ NPY5R Q15761 2/20 0.54
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TAS2R14 Q9NYV8 4/20 0.50
▸ EGFR P00533 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ FABP4 P15090 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CDC25B P30305 4/20 0.48
▸ PTGS1 P23219 2/20 0.47
▸ AKR1C3 P42330 2/20 0.47
▸ AKR1C2 P52895 2/20 0.47

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
SCHEMBL2787546 0.87 MAPT (0.56) KDM4ENPY5RPOLBALDH1A1HPGD
SCHEMBL17786579 0.78 NPC1 (0.49) POLBALDH1A1TAS2R14FABP4MEN1
SCHEMBL783331 0.78 MAPT (0.57) KDM4EPOLBALDH1A1HPGDSRC
SCHEMBL17589299 0.76 KDM4E (0.46) KDM4ENPY5RPOLBALDH1A1MEN1
SCHEMBL17117440 0.75 NPY5R (0.67) KDM4ENPY5RALDH1A1EGFRSRC
SCHEMBL17786597 0.75 TTR (0.49) ALDH1A1TAS2R14FABP4MEN1MAPK1
SCHEMBL18109767 0.74 FABP4 (0.85) ALDH1A1TAS2R14FABP4MEN1MAPT
SCHEMBL4327511 0.74 NPC1 (0.54) ALDH1A1HPGDTAS2R14FABP4MAPT
SCHEMBL4727925 0.74 NPY5R (0.65) KDM4ENPY5RALDH1A1HPGDMEN1
SCHEMBL14124824 0.74 KDM4E (0.73) KDM4EPOLBALDH1A1HPGDHSD17B10

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-20130092879-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-04-18 — — 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-20130092879-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP2C19, CYP1A1 KDM4E 3178/4885NPY5R 2638/4885POLB 1137/4885

“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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