SCHEMBL17855433

SCHEMBL17855433

CCN(Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)Cc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.38
▸ ACHE P22303 7/20 0.37
▸ MAOB P27338 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BCHE P06276 3/20 0.36
▸ HTR1A P08908 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR5A P47898 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ DRD3 P35462 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL17855431 0.88 TSHR (0.43) ACHEMAOBALDH1A1TSHRATM
SCHEMBL17854966 0.85 PNMT (0.41) PNMTACHEMAOBBCHEDRD2
SCHEMBL17854969 0.85 ALDH1A1 (0.39) ACHEMAOBALDH1A1TSHRATM
SCHEMBL17854960 0.81 HTR1A (0.45) ACHEMAOBTSHRBCHEHTR1A
SCHEMBL17855432 0.80 TSHR (0.34) ALDH1A1TSHRATMNPSR1CYP1A2
SCHEMBL19543696 0.76 PNMT (0.58) PNMTACHEMAOBALDH1A1TSHR
SCHEMBL26999774 0.75 PDK2 (0.39) MAOBTSHRBCHEHTR1AHTR2C
SCHEMBL17903068 0.74 HTR1A (0.42) ACHEMAOBTSHRBCHEHTR1A
SCHEMBL18907526 0.74 HTR1A (0.49) ACHEMAOBTSHRBCHEHTR1A
SCHEMBL18079820 0.74 HTR1A (0.49) ACHEMAOBTSHRBCHEHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 PNMT 3027/4885ACHE 1908/4885MAOB 1625/4885

“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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