SCHEMBL14259787

SCHEMBL14259787

COc1cc2c(cc1O)C[C@@H]1NCCc3cc(C)c(OC)c-2c31

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 5/20 0.65
KDM4E B2RXH2 4/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
KMT2A Q03164 2/20 0.65
POLB P06746 1/20 0.65
HTT P42858 1/20 0.65
MCL1 Q07820 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
DRD2 P14416 5/20 0.62
DRD1 P21728 5/20 0.61
HTR2C P28335 3/20 0.61
HSD17B10 Q99714 4/20 0.61
PTPRCAP Q14761 1/20 0.56
CHRNB2 P17787 5/20 0.53
CHRNA7 P36544 5/20 0.53
CHRNA4 P43681 5/20 0.53
CYP1A2 P05177 2/20 0.53

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
Norboldine SCHEMBL29886755 0.92 DRD1 (0.71) ALDH1A1HPGDKDM4ELMNAMAPT
Norboldine SCHEMBL14367906 0.92 DRD1 (0.71) ALDH1A1HPGDKDM4ELMNAMAPT
Norboldine SCHEMBL27987614 0.92 DRD1 (0.71) ALDH1A1HPGDKDM4ELMNAMAPT
Norboldine SCHEMBL29402012 0.92 DRD1 (0.71) ALDH1A1HPGDKDM4ELMNAMAPT
Laurotetanine SCHEMBL31300083 0.91 DRD2 (0.74) ALDH1A1HPGDKDM4ELMNAMAPT
Laurotetanine SCHEMBL905065 0.91 DRD2 (0.74) ALDH1A1HPGDKDM4ELMNAMAPT
Laurotetanine SCHEMBL905125 0.91 DRD2 (0.74) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL30828734 0.89 DRD1 (0.70) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL14259791 0.87 DRD1 (0.71) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL11055620 0.85 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ELMNAMAPT

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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE ALDH1A1 2788/4885HPGD 1374/4885KDM4E 1618/4885

“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.