SCHEMBL23913086

SCHEMBL23913086

COc1cccc(CCOc2ccc(-c3cc(C(F)(F)F)nn3C)c(O)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.38
GPR55 Q9Y2T6 1/20 0.36
SLC2A1 P11166 1/20 0.36
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
CYP19A1 P11511 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DYRK3 O43781 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL21786605 0.91 PTGS2 (0.37) CYP11B1CYP11B2CYP19A1
SCHEMBL22791356 0.89 CYP11B1 (0.35) CYP11B1CYP11B2HTR2CSLC6A4HTR2B
SCHEMBL22825429 0.85 GPR55 (0.40) ABCB1GPR55SLC2A1CYP11B1CYP11B2
SCHEMBL21786479 0.85 STIM1 (0.36) CYP11B1CYP11B2HTR2CSLC6A4HTR2B
SCHEMBL21786614 0.84 PTGS2 (0.39) GPR55MAPT
SCHEMBL22790999 0.83 ABCB1 (0.37) ABCB1GPR55SLC2A1CYP11B1CYP11B2
SCHEMBL21786504 0.82 PTGDR2 (0.36)
SCHEMBL21786494 0.82 AKR1C3 (0.40) HTR2CKMT2AKDM4EDYRK3CCNT1
SCHEMBL21786534 0.80 PTGER1 (0.38) KMT2AKDM4EMAPT
SCHEMBL21786589 0.78 STIM1 (0.37) HTR2CSLC6A4MEN1KMT2A

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-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 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-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 ABCB1 1111/4885GPR55 2922/4885SLC2A1 3561/4885

“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.