SCHEMBL17903074

SCHEMBL17903074

CCN(CC)Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CNR2 P34972 1/20 0.42
▸ MAOB P27338 5/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ ACHE P22303 4/20 0.39
▸ BCHE P06276 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL17854960 0.90 HTR1A (0.45) KMT2AKDM4EMEN1LMNAMAPT
SCHEMBL17903068 0.90 HTR1A (0.42) KMT2AKDM4EMEN1LMNAMAPT
SCHEMBL29307756 0.86 KMT2A (0.45) KMT2AKDM4EMEN1LMNAMAPT
SCHEMBL26999774 0.85 PDK2 (0.39) KMT2AKDM4EMEN1LMNAMAPT
SCHEMBL18907440 0.84 HRH3 (0.42) KDM4EHRH3CNR2MAOBACHE
SCHEMBL20414401 0.82 SMN1; SMN2 (0.53) KMT2AKDM4EMEN1LMNAMAPT
SCHEMBL26999773 0.81 CYP1A2 (0.38) KMT2AKDM4EMEN1LMNAMAPT
SCHEMBL18079823 0.79 HTR1A (0.46) HRH3CNR2MAOBACHEBCHE
SCHEMBL18079820 0.79 HTR1A (0.49) KMT2AKDM4EMEN1LMNAMAPT
SCHEMBL18079828 0.79 HTR1A (0.46) HRH3CNR2MAOBACHEBCHE

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-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — 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-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT CHRM1, L1CAM, ESR1 KMT2A 1240/4885KDM4E 1907/4885MEN1 367/4885

“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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