SCHEMBL21020007

SCHEMBL21020007

CCc1ccccc1N(C)c1cccc2c1sc1c(CC)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 2/20 0.35
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 4/20 0.32
SIGMAR1 Q99720 2/20 0.32
ADRA2A P08913 1/20 0.32
SLC6A2 P23975 1/20 0.32
SQLE Q14534 1/20 0.32
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL20172887 0.90 ALDH1A1 (0.35) CYP2D6CYP1A2CYP2C19NPC1TP53
SCHEMBL20172884 0.90 TP53 (0.36) CYP2D6CYP1A2CYP2C19NPC1TP53
SCHEMBL21020012 0.90 TP53 (0.35) CYP2D6CYP1A2CYP2C19NPC1TP53
SCHEMBL21020013 0.88 ALDH1A1 (0.37) CYP2D6CYP1A2CYP2C19NPC1TP53
SCHEMBL21021487 0.88 CYP1A2 (0.36) CYP2D6CYP1A2CYP2C19NPC1TP53
SCHEMBL20172865 0.88 L3MBTL1 (0.40) CYP2D6CYP1A2CYP2C19NPC1MAPT
SCHEMBL21020005 0.86 SIGMAR1 (0.33) CYP2D6CYP1A2CYP2C19NPC1SIGMAR1
SCHEMBL20172905 0.86 LMNA (0.33) CYP2D6CYP1A2CYP2C19NPC1GABRA1
SCHEMBL21021480 0.86 NPC1 (0.34) CYP2D6CYP1A2CYP2C19NPC1LMNA
SCHEMBL21020008 0.86 CYP2D6 (0.33) CYP2D6CYP1A2CYP2C19GABRA1GABRB2

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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 CYP2D6 691/4885CYP1A2 563/4885CYP2C19 663/4885

“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.