SCHEMBL5155574

SCHEMBL5155574

Cc1cc2c(c(-c3c(N)c(C)cc4c3CCCC4)c1N)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NOS3 P29474 3/20 0.38
▸ NOS1 P29475 3/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CES1 P23141 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ACHE P22303 8/20 0.34
▸ BCHE P06276 4/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2A Q12879 4/20 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
SCHEMBL10277460 0.84 NOS3 (0.39) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL19995820 0.79 NOS3 (0.36) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL13091632 0.75 CYP3A4 (0.34) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL12057393 0.74 MEN1 (0.61) MEN1KMT2AALDH1A1CES1KDM4E
SCHEMBL14204852 0.74 MEN1 (0.43) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL23808911 0.74 ACHE (0.44) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL19791796 0.72 ACHE (0.46) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL20002035 0.71 ALDH1A1 (0.39) NOS3NOS1NOS2ALDH1A1TP53
SCHEMBL19266204 0.71 NOS3 (0.44) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL13091633 0.71 KDM4E (0.40) MEN1KMT2AALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134226-B1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex TAKASAGO PERFUMERY CO LTD (JP) 2007-01-03 — — EP disclosed
US-6596887-B2 Reacting a ruthenium-phosphine complex with a specific optically active chiral diamine to deactivate one of the enantiomers and with another diamine to activate the other enantiomers TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-22 — — US disclosed
US-20010039354-A1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-08 — — US disclosed
EP-1134226-A2 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex Takasago International Corporation (JP) 2001-09-19 — — EP 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-20010039354-A1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex DRD4, PNMT, DRD1 MEN1 2356/4885KMT2A 2853/4885NOS3 1960/4885

“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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