SCHEMBL22336310

SCHEMBL22336310

Cc1ccc(C)c(N(c2cc(C)ccc2C)C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 4/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TRPA1 O75762 2/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL26996633 0.90 HTT (0.39) ALDH1A1TDP1HTTLMNATSHR
SCHEMBL24237326 0.86 ALDH1A1 (0.38) ALDH1A1TDP1HTTLMNAMAOA
SCHEMBL26996630 0.85 HTT (0.38) ALDH1A1TDP1HTTLMNATSHR
SCHEMBL26996632 0.83 ACHE (0.37) ALDH1A1TDP1HTTLMNATSHR
SCHEMBL13507393 0.82 HRH4 (0.40) ALDH1A1TDP1LMNAMAOAMAOB
SCHEMBL22336312 0.78 CYP1A2 (0.37) ALDH1A1TDP1HTTLMNACYP1A2
SCHEMBL21793456 0.73 TDP1 (0.44) ALDH1A1TDP1HTTLMNATSHR
SCHEMBL3185975 0.73 TDP1 (0.44) ALDH1A1TDP1HTTLMNATSHR
SCHEMBL16260529 0.71 ACHE (0.43) ALDH1A1TDP1LMNATSHRSLC6A2
Hydrochloric Acid SCHEMBL2868438 0.71 TDP1 (0.42) ALDH1A1TDP1HTTLMNATSHR

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 2814/4885TDP1 2533/4885HTT 2448/4885

“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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