SCHEMBL19965015

SCHEMBL19965015

Bc1ccnc(C(C)(C)CC(C)(C)C(=O)OCC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ JMJD6 Q6NYC1 2/20 0.32

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
SCHEMBL19928510 0.80 CYP4F2 (0.34) ALDH1A1CYP1A2CYP3A4GAACYP4F2
SCHEMBL22312167 0.75 CCR9 (0.35) ALDH1A1L3MBTL1SMN1; SMN2MAPK1NPC1
SCHEMBL22313139 0.72 NUDT1 (0.31) ALDH1A1NUDT1SMN1; SMN2LMNA
SCHEMBL18855007 0.69 CNR2 (0.43) ALDH1A1CYP1A2CYP3A4GAANUDT1
SCHEMBL16976879 0.68 CYP1A2 (0.50) ALDH1A1CYP1A2NUDT1TSHRPIK3CA
SCHEMBL18363110 0.67 CYP4F2 (0.55) ALDH1A1CYP1A2CYP3A4GAACYP4F2
SCHEMBL20669564 0.67 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4GAAABCB11
SCHEMBL22312163 0.66 LMNA (0.40) ALDH1A1TSHRL3MBTL1SMN1; SMN2MAPK1
SCHEMBL24369218 0.65 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4GAAABCB11
SCHEMBL24023322 0.65 HSD11B1 (0.39) ALDH1A1GAASMN1; SMN2MAPK1LMNA

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-10280142-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-05-07 — — US disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 — — 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 (2 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-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 ALDH1A1 1501/4885CYP1A2 133/4885CYP3A4 236/4885
US-10280142-B2 Bipyridyl compound CBR1, NR0B2, ERBB2 ALDH1A1 1501/4885CYP1A2 133/4885CYP3A4 236/4885

“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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