SCHEMBL16625819

SCHEMBL16625819

COc1ccc2c(c1O)[C@H](Cc1ccccc1)N1CCc3cc4c(cc3[C@@H]1C2)OCO4

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.82
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
ALDH1A1 P00352 2/20 0.82
MAPT P10636 2/20 0.82
HPGD P15428 2/20 0.82
KDM4E B2RXH2 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
KCNH2 Q12809 1/20 0.64
F3 P13726 7/20 0.58
DRD1 P21728 6/20 0.58
DRD2 P14416 5/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
DRD4 P21917 2/20 0.50
DRD5 P21918 2/20 0.50
DRD3 P35462 2/20 0.50
LMNA P02545 1/20 0.50
ADRA1A P35348 1/20 0.50

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
SCHEMBL3321890 0.90 MEN1 (1.00) CYP3A4MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3318560 0.89 CYP3A4 (0.98) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL16625820 0.86 KDM4E (0.71) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL16625843 0.86 KDM4E (0.71) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL16627014 0.84 KCNH2 (0.65) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL16625822 0.84 KCNH2 (0.64) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL29527040 0.78 KCNH2 (1.00) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL297572 0.75 CYP3A4 (0.73) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL905060 0.74 DRD1 (1.00) CYP3A4MEN1KMT2AMAPTKDM4E
SCHEMBL910461 0.74 DRD1 (1.00) CYP3A4MEN1KMT2AMAPTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181237-B2 Substituted berbines and their synthesis MALLINCKRODT LLC (US) 2015-11-10 US disclosed
US-9181237-B2 Substituted berbines and their synthesis MALLINCKRODT LLC (US) 2015-11-10 US disclosed
WO-2015051106-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS MALLINCKRODT LLC (US) 2015-04-09 WO disclosed
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS SUCAMPO PHARMA AMERICAS LLC 2015-04-09 US disclosed
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS SUCAMPO PHARMA AMERICAS LLC 2015-04-09 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-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS TYMS, NME2, TYMP CYP3A4 446/4885MEN1 945/4885KMT2A 180/4885

“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.