SCHEMBL13338576

SCHEMBL13338576

Cc1cccc(N(c2cc(C)cc(C)c2)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.48
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ AR P10275 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL13338378 0.94 ACHE (0.48) ACHESLC6A2SLC6A4TP53MAPT
SCHEMBL13338404 0.88 MAPT (0.43) ACHESLC6A2SLC6A4TP53MAPT
SCHEMBL13338503 0.86 ACHE (0.41) ACHESLC6A2SLC6A4TP53MAPT
SCHEMBL13338389 0.86 ALDH1A1 (0.41) ACHESLC6A2SLC6A4ARTP53
SCHEMBL13338373 0.85 AR (0.45) ACHEARALDH1A1
SCHEMBL13338574 0.84 MAOA (0.37) SLC6A2SLC6A4ARTP53MAPT
SCHEMBL22336313 0.83 ACHE (0.38) ACHESLC6A2SLC6A4TP53MAPT
SCHEMBL13338733 0.83 CYP1A2 (0.37) ACHESLC6A2SLC6A4TP53MAPT
SCHEMBL13338746 0.82 HSD17B1 (0.44) ACHESLC6A2SLC6A4TP53MAPT
SCHEMBL13338748 0.82 KMT2A (0.40) ACHESLC6A2SLC6A4TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 — — US disclosed
WO-2020162600-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2020-08-13 — — WO disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 — — 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 (2 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-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 ACHE 3958/4885SLC6A2 1920/4885SLC6A4 3115/4885
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 ACHE 2234/4885SLC6A2 2141/4885SLC6A4 1642/4885

“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.

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