SCHEMBL20031637

SCHEMBL20031637

O=C1c2c3c(c4c(c2C(=O)N1c1ccccc1)CCc1cc(Oc2ccccc2)ccc1-4)-c1ccc(Oc2ccccc2)cc1CC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
MGLL Q99685 1/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL22703045 0.92 MGLL (0.37) BRD4MGLLMAOAMAOBPOLB
SCHEMBL22703044 0.88 MGLL (0.35) BRD4MGLLMAOAMAOBPOLB
SCHEMBL25016974 0.88 ALDH1A1 (0.52) MAOBPOLBMEN1KMT2AALDH1A1
SCHEMBL22703031 0.82 ESR1 (0.50) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL20031893 0.81 GAA (0.46) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL25017621 0.81 ESR1 (0.56) MAOAMAOBPOLBKDM4EHSPA1A
SCHEMBL25016866 0.78 ITGB3 (0.40) MAOAMAOBHRH3
SCHEMBL25017625 0.74 BRD4 (0.50) BRD4MAOAMAOB
SCHEMBL22703066 0.74 ITGB3 (0.36) MAOAMAOBHRH3
SCHEMBL25017019 0.74 ITGB3 (0.38) MAOAMAOBPOLBMEN1KMT2A

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
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
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 BRD4 4615/4885MGLL 1701/4885MAOA 2352/4885

“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.