SCHEMBL20339403

SCHEMBL20339403

CCCCCCOc1cccc(OCCCCCC)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MCHR1 Q99705 3/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
THRB P10828 2/20 0.48
THRA P10827 1/20 0.48
TSHR P16473 2/20 0.47
NR5A1 Q13285 1/20 0.44

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
SCHEMBL19612311 1.00 CYP3A4 (0.51) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL3782141 0.92 CYP1A2 (0.57) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL20339408 0.88 LMNA (0.49) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL9697377 0.88 LMNA (0.49) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL3787607 0.85 MCHR1 (0.47) CYP3A4MEN1LMNACHRM2MAPT
SCHEMBL2859001 0.83 LMNA (0.62) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL9387360 0.83 LMNA (0.62) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL1964196 0.83 LMNA (0.62) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL2245919 0.83 LMNA (0.62) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL9394792 0.83 LMNA (0.62) CYP3A4MEN1NR1I2LMNACHRM2

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
EP-3562488-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCY WITH SMALL MOLECULE NF-KB INHIBITORS Memorial Sloan-Kettering Cancer Center (US) 2019-11-06 EP disclosed
US-20190314377-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCY WITH SMALL MOLECULE NF-KB INHIBITORS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-10-17 US disclosed
WO-2018125867-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCY WITH SMALL MOLECULE NF-KB INHIBITORS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-07-05 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-20190314377-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCY WITH SMALL MOLECULE NF-KB INHIBITORS NFKBIA, IKBKB, NFKB2 CYP3A4 4411/4885MEN1 845/4885NR1I2 1934/4885

“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.