SCHEMBL21740880

SCHEMBL21740880

Cc1ccccc1N(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
TSHR P16473 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP3A4 P08684 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL24206318 0.89 TAAR1 (0.32) ACHETSHRTRPM8CYP3A4MEN1
SCHEMBL15852976 0.87 ACHE (0.43) ACHETSHRTRPM8SIGMAR1CYP3A4
SCHEMBL21740838 0.85 TSHR (0.39) ACHETSHRMEN1KMT2ASMN1; SMN2
SCHEMBL21740628 0.85 NPC1 (0.36) ACHETSHRCYP3A4MEN1KMT2A
SCHEMBL29223026 0.84 SIGMAR1 (0.34) ACHETSHRTRPM8SIGMAR1CYP3A4
SCHEMBL19391262 0.82 ESR1 (0.33) ACHETSHRTRPM8SIGMAR1CYP3A4
SCHEMBL24206226 0.81 ALDH1A1 (0.38) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL20083363 0.79 KDM4E (0.32) CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL45354 0.79 MEN1 (0.40) ACHETSHRCYP3A4MEN1KMT2A
SCHEMBL2119818 0.79 MEN1 (0.40) ACHETSHRCYP3A4MEN1KMT2A

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 ACHE 757/4885TSHR 4828/4885TRPM8 103/4885

“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.