SCHEMBL13997210

SCHEMBL13997210

CCc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NR1H4 Q96RI1 3/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
GRIA4 P48058 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL338386 0.87 BCHE (0.52) BCHEACHEGRIA4LMNA
SCHEMBL49741 0.84 TSHR (0.52) NPC1RAB9ANR1H4MAPTLMNA
SCHEMBL2392625 0.84 TSHR (0.52) NPC1RAB9ANR1H4MAPTLMNA
SCHEMBL49571 0.84 RAB9A (0.55) NPC1RAB9AMAPTLMNAMEN1
SCHEMBL7652240 0.81 HPGD (0.50) NPC1RAB9ANR1H4MAPTLMNA
SCHEMBL18643754 0.80 KIF11 (0.52) NPC1RAB9ABCHEACHELMNA
SCHEMBL12264103 0.80 RAB9A (0.65) NPC1RAB9ANR1H4MAPTLMNA
SCHEMBL19489172 0.79 MAPT (0.43) CA1CA2NPC1RAB9AMAPT
SCHEMBL25888283 0.79 NPC1 (0.43) NPC1RAB9ANR1H4MAPTLMNA
SCHEMBL22280328 0.79 LMNA (0.59) CA1CA2NR1H4LMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 US disclosed
EP-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP 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-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 CA1 629/4885CA2 643/4885NPC1 2541/4885

“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.