SCHEMBL16967457

SCHEMBL16967457

CC(OB(O)c1ccc(N2CCOCC2)nc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CNR2 P34972 6/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL219142 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL28629103 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL29586304 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL9147 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL14167546 0.71 CNR2 (0.53) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL29092810 0.69 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL18714256 0.68 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL21202542 0.68 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL21447902 0.68 OGA (0.54) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL14349348 0.68 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDKDM4EMAPT

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-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 — — US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 — — 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-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS CDK1, CDK2, CDK4 ALDH1A1 2838/4885HSD17B10 2499/4885HPGD 2157/4885

“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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