Predicentrine

Predicentrine

SCHEMBL25844649

COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@@H](C2)N(C)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.91
HSD17B10 Q99714 7/20 0.91
HPGD P15428 7/20 0.91
KDM4E B2RXH2 7/20 0.91
MAPT P10636 6/20 0.91
DRD1 P21728 5/20 0.91
CYP3A4 P08684 5/20 0.91
CYP2D6 P10635 5/20 0.91
DRD2 P14416 4/20 0.91
MEN1 O00255 3/20 0.91
KMT2A Q03164 3/20 0.91
CYP2C9 P11712 3/20 0.91
CYP1A2 P05177 2/20 0.91
HIF1A Q16665 2/20 0.91
LMNA P02545 1/20 0.91
CHRNB2 P17787 1/20 0.91
CSNK2A2 P19784 1/20 0.91
CHRNA7 P36544 1/20 0.91
CHRNA4 P43681 1/20 0.91
CSNK2B P67870 1/20 0.91

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
Predicentrine SCHEMBL4410538 1.00 ALDH1A1 (0.91) ALDH1A1HSD17B10HPGDKDM4EMAPT
Boldine SCHEMBL177549 0.95 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKDM4EMAPT
Boldine SCHEMBL29973042 0.95 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKDM4EMAPT
Boldine SCHEMBL7387149 0.95 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKDM4EMAPT
Boldine SCHEMBL177550 0.95 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKDM4EMAPT
Boldine SCHEMBL30184400 0.95 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKDM4EMAPT
Boldine SCHEMBL13459203 0.95 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKDM4EMAPT
Boldine SCHEMBL3060583 0.94 ALDH1A1 (0.98) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL25844660 0.93 ALDH1A1 (0.83) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL23760529 0.93 HTR2B (0.84) 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-20230233548-A1 Method for Treating Nervous System Injuries Using Boldine and Derivatives Thereof US GOV VETERANS AFFAIRS (US) 2023-07-27 US disclosed
US-11707459-B2 Method for treating nervous system injuries using boldine and analogs thereof UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2023-07-25 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-20230233548-A1 Method for Treating Nervous System Injuries Using Boldine and Derivatives Thereof ACHE, GAP43, SLC6A2 ALDH1A1 4132/4885HSD17B10 3697/4885HPGD 3633/4885
US-11707459-B2 Method for treating nervous system injuries using boldine and analogs thereof GAP43, ACHE, SLC6A2 ALDH1A1 4116/4885HSD17B10 3784/4885HPGD 3689/4885

“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.