SCHEMBL13397530

SCHEMBL13397530

CCc1cccc(CC)c1-[n+]1ccc(-c2cc[n+](-c3c(CC)cccc3CC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.43
▸ GABRB2 P47870 4/20 0.43
▸ TP53 P04637 2/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ SLC22A3 O75751 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ DDO Q99489 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2A P28223 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
Hydrochloric Acid SCHEMBL1737122 0.98 GABRA1 (0.41) GABRA1GABRB2TP53SLC22A2SLC22A1
SCHEMBL5159445 0.70 CYP2A6 (0.38) SLC22A2SLC22A1SLC22A3SLC6A4MEN1
Hydrochloric Acid SCHEMBL29672576 0.69 GABRA1 (0.34) GABRA1GABRB2HTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL3143919 0.68 CYP2A6 (0.36) SLC22A2SLC22A1SLC22A3SLC6A4MEN1
SCHEMBL3238496 0.68 GABRA1 (0.57) GABRA1GABRB2CYP1A2CYP2D6CYP2C19
SCHEMBL2432452 0.65 SLC22A2 (0.34) TP53SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL25425763 0.64 GABRA1 (0.58) GABRA1GABRB2TP53CYP2D6MAPT
SCHEMBL36294 0.64 GABRA1 (0.58) GABRA1GABRB2TP53CYP2D6MAPT
SCHEMBL29390847 0.64 GABRA1 (0.58) GABRA1GABRB2TP53CYP2D6MAPT
SCHEMBL599099 0.63 GABRA1 (0.57) GABRA1GABRB2TP53MAPTDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104985-A1 COMPOUND FOR PHOTORESIST, PHOTORESIST LIQUID, AND ETCHING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-04-29 — — US disclosed
US-20080182059-A1 Optical Recording Medium and Method of Producing the Same FUJIFILM CORPORATION (JP) 2008-07-31 — — US disclosed
US-7348125-B2 Optical information recording medium and novel immonium compound FUJIFILM CORPORATION (JP) 2008-03-25 — — US disclosed
EP-1876592-A1 OPTICAL RECORDING MEDIUM AND ITS MANUFACTURING METHOD FUJIFILM Corporation (JP) 2008-01-09 — — EP disclosed
US-20070190283-A1 Optical information recording medium and manufacturing method thereof FUJIFILM CORPORATION (JP) 2007-08-16 — — 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-20100104985-A1 COMPOUND FOR PHOTORESIST, PHOTORESIST LIQUID, AND ETCHING METHOD USING THE SAME PYCR1, STK10, STK4 GABRA1 2165/4885GABRB2 3564/4885TP53 859/4885

“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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