SCHEMBL20031667

SCHEMBL20031667

O=C1c2c(c3ccc4cc(O)ccc4c3c3c2ccc2cc(O)ccc23)C(=O)N1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.53
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TNNI3 P19429 1/20 0.42
HTT P42858 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ESR2 Q92731 3/20 0.41
POLB P06746 2/20 0.39
APAF1 O14727 1/20 0.39
HSPA1A P0DMV8 1/20 0.39
PABPC1 P11940 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL20031669 0.83 HSPA1A (0.44) MEN1USP2LMNAMAPTTNNI3
SCHEMBL22703022 0.82 ESR1 (0.40) ESR1MEN1USP2LMNAMAPT
SCHEMBL25016874 0.80 ESR1 (0.36) ESR1MEN1USP2LMNAMAPT
SCHEMBL20031887 0.77 ALDH2 (0.47)
SCHEMBL132405 0.77 ESR1 (0.65) ESR1MEN1USP2LMNAMAPT
SCHEMBL25017627 0.74 CA12 (0.44) ESR1MEN1KMT2ANPC1RAB9A
SCHEMBL8615277 0.69 ESR1 (1.00) ESR1NPC1RAB9AESR2POLB
SCHEMBL5806662 0.69 NQO1 (0.53) ESR1MEN1USP2LMNAMAPT
SCHEMBL5793779 0.69 KMT2A (0.55) ESR1MEN1USP2LMNAMAPT
SCHEMBL17667968 0.68 CYP1A2 (0.54) ESR1MEN1MAPTKMT2AESR2

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 ESR1 861/4885MEN1 3486/4885USP2 1271/4885

“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.