SCHEMBL20031646

SCHEMBL20031646

COc1ccc2c(c1)CCc1c(C#N)c(C#N)c3c(c1-2)-c1ccc(OC)cc1CC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.58
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MPO P05164 1/20 0.43
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.43
CLK1 P49759 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAP3K9 P80192 1/20 0.42
MAP3K11 Q16584 1/20 0.42
ACHE P22303 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL20031900 0.93 EGFR (0.53) EGFRMAPK1CYP1A2CYP2D6KDM4E
SCHEMBL20031875 0.91 EGFR (0.51) EGFRMAPK1CYP1A2CYP2D6KDM4E
SCHEMBL22703046 0.85 EGFR (0.44) EGFRMAPK1CYP1A2CYP2D6KDM4E
SCHEMBL20031910 0.84 EGFR (0.44) EGFRMAPK1KDM4EALDH1A1GLA
SCHEMBL20031643 0.81 MAPK1 (0.42) EGFRMAPK1CYP1A2ALDH1A1MEN1
SCHEMBL25016883 0.79 EGFR (0.42) EGFRMAPK1
SCHEMBL22702989 0.79 THRA (0.47) EGFRKDM4EALDH1A1MAPTMEN1
SCHEMBL20031659 0.76 MIF (0.44) EGFRMAPK1CYP1A2KDM4EALDH1A1
SCHEMBL7284412 0.76 BCL2 (0.49) EGFRMAPK1CYP1A2CYP2D6KDM4E
SCHEMBL17108416 0.76 MPO (0.59) CYP1A2CYP2D6KDM4EALDH1A1GLA

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-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2023-02-14 US disclosed
EP-3518746-B1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECH DEVELOPMENT AGENCY (TH) 2020-11-25 EP disclosed
WO-2018063105-A1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2018-04-05 WO 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-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor OR51E2, HDHD5, WEE1 EGFR 381/4885MAPK1 3200/4885CYP1A2 1526/4885

“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.