SCHEMBL22336311

SCHEMBL22336311

Cc1ccc(N(c2ccc(C)cc2C)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HRH4 Q9H3N8 4/20 0.36
▸ TP53 P04637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CHRNA7 P36544 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ KEAP1 Q14145 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
SCHEMBL20930629 0.95 HRH4 (0.34) ALDH1A1TSHRHRH4TP53TDP1
SCHEMBL13506873 0.89 MAPT (0.37) ALDH1A1HRH4KDM4EMAPTNPSR1
SCHEMBL13507393 0.88 HRH4 (0.40) ALDH1A1HRH4TP53TDP1KDM4E
SCHEMBL13338507 0.81 C5AR1 (0.38) ALDH1A1TSHRTP53CHRNA7KDM4E
SCHEMBL24237256 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTP53TDP1CHRNA7
SCHEMBL22336312 0.79 CYP1A2 (0.37) ALDH1A1HRH4TP53TDP1MAPT
SCHEMBL10047612 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CHRNA7KDM4E
SCHEMBL20149501 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTP53TDP1KDM4E
SCHEMBL19958559 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTP53TDP1KDM4E
SCHEMBL7765869 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTP53TDP1KDM4E

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-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

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-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 ALDH1A1 2814/4885TSHR 1102/4885HRH4 471/4885

“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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