SCHEMBL20150635

SCHEMBL20150635

Cc1cc([Si]2(c3ccccc3)c3ccccc3Oc3ccccc32)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AHR P35869 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20150634 0.79 AHR (0.42) ALDH1A1AHR
SCHEMBL20544653 0.79 MAOA (0.36) AHR
SCHEMBL21261384 0.75 LMNA (0.38) KMT2APOLBALDH1A1NPC1RAB9A
SCHEMBL25699129 0.75 AHR (0.52) NPC1RAB9AAHRMAPTSMN1; SMN2
SCHEMBL19764664 0.75
SCHEMBL21666728 0.74 AHR (0.31) AHR
SCHEMBL20829414 0.73 AHR (0.32) AHR
SCHEMBL20829730 0.73 AHR (0.37) CYP1A2AHRLMNA
SCHEMBL24299520 0.72 LMNA (0.33) LMNA
SCHEMBL20150638 0.71 PARP1 (0.34) MEN1KMT2AAHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-17 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-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 CYP1A2 136/4885CYP3A4 106/4885CYP2D6 295/4885

“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.