SCHEMBL21740628

SCHEMBL21740628

Cc1ccccc1N(c1ccc(F)cc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
ACHE P22303 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 5/20 0.33
ALDH1A1 P00352 3/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APP P05067 1/20 0.32
HSD11B1 P28845 1/20 0.31
MAPK1 P28482 2/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 3/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 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
SCHEMBL21740880 0.85 ACHE (0.36) POLBACHEKMT2AMEN1TSHR
SCHEMBL21740838 0.82 TSHR (0.39) NPC1ACHEKMT2AMEN1TSHR
SCHEMBL24206318 0.82 TAAR1 (0.32) NPC1ACHEKMT2AMEN1TSHR
SCHEMBL15852976 0.80 ACHE (0.43) ACHETSHRALDH1A1CYP1A2CYP3A4
SCHEMBL24206226 0.78 ALDH1A1 (0.38) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL21549230 0.76 CES1 (0.42) ACHEKMT2AMEN1TSHRALDH1A1
SCHEMBL24206167 0.70 ACHE (0.44) NPC1POLBACHEKMT2AMEN1
SCHEMBL20083363 0.70 KDM4E (0.32) ALDH1A1APPCYP1A2CYP3A4CYP2D6
SCHEMBL12084536 0.69 MEN1 (0.37) NPC1POLBACHEKMT2AMEN1
SCHEMBL19391262 0.69 ESR1 (0.33) ACHEKMT2AMEN1TSHRALDH1A1

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-20200058885-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-02-20 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-20200058885-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME TMEM109, CRY1, TRPA1 NPC1 539/4885POLB 1515/4885ACHE 757/4885

“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.