SCHEMBL3057016

SCHEMBL3057016

COc1ccc(C(=O)N2CCc3cc(O)c(OC)cc3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3054860 0.89 CA2 (0.55) CA2CA9RAB9ASMN1; SMN2MEN1
SCHEMBL3052647 0.88 CA2 (0.75) CA2CA9MEN1KMT2AMAPT
SCHEMBL3051291 0.88 CA2 (0.57) CA2CA9SMN1; SMN2KMT2AMAPT
SCHEMBL3050147 0.87 CA2 (0.56) CA2CA9RAB9ASMN1; SMN2MEN1
SCHEMBL3051349 0.86 CA2 (0.63) CA2CA9RAB9ASMN1; SMN2MEN1
SCHEMBL3050834 0.85 CA2 (0.58) CA2CA9SMN1; SMN2MEN1KMT2A
SCHEMBL3061743 0.81 ALDH1A1 (0.59) CA2CA9MEN1KMT2AKDM4E
SCHEMBL3051091 0.80 CA2 (0.54) CA2CA9RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3051154 0.80 CA2 (0.53) CA2CA9SMN1; SMN2MEN1KMT2A
SCHEMBL3046225 0.77 MMP2 (0.54) RAB9AMEN1KMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC CA2 1077/4885CA9 1002/4885RAB9A 1258/4885

“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.