SCHEMBL3504486

SCHEMBL3504486

CC1=NC(C)(c2ccccc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PAX8 Q06710 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
REN P00797 1/20 0.30
APP P05067 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL16919350 0.76 ALDH1A1 (0.33) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL6623764 0.73 SLC6A2 (0.39) ALDH1A1LMNAL3MBTL1
SCHEMBL5833030 0.67
SCHEMBL11245064 0.66 LMNA (0.38) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL28452041 0.65 BACE1 (0.32) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL22780547 0.64 BACE1 (0.32) BACE1ALDH1A1
SCHEMBL9034778 0.64 ALDH1A1 (0.38) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL28430320 0.62 BACE1 (0.33) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL28844972 0.61 BACE1 (0.32) BACE1ALDH1A1LMNAGAAPAX8
SCHEMBL2350335 0.61 LMNA (0.42) ALDH1A1LMNAGAAPAX8MCL1

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
WO-2010114921-A1 EPH RECEPTOR LIGANDS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-07 WO disclosed
US-20100256214-A1 EPH RECEPTOR LIGANDS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-07 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-20100256214-A1 EPH RECEPTOR LIGANDS AND METHODS OF USE EPHA2, EPHA4, EPHB4 BACE1 1909/4885ALDH1A1 2859/4885LMNA 4212/4885

“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.