SCHEMBL17903075

SCHEMBL17903075

CCN(CC)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CNR2 P34972 4/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ GFER P55789 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL17855952 0.89 MAPT (0.45) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL17903058 0.89 PDK2 (0.42) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL17855430 0.87 MEN1 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12601921 0.84 KMT2A (0.44) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL2790658 0.84 MEN1 (0.57) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL30561153 0.84 MEN1 (0.57) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12978426 0.82 MEN1 (0.55) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12861391 0.82 MEN1 (0.55) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL19447686 0.82 ALDH1A1 (0.46) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL30534896 0.80 MEN1 (0.57) MEN1KMT2AMAPTKDM4ELMNA

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 MEN1 367/4885KMT2A 1240/4885MAPT 1290/4885

“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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