SCHEMBL18660179

SCHEMBL18660179

CC(C)CNc1ccc(NCc2ccc(CNc3ccc(NCC(C)C)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ GAA P10253 4/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ PLEC Q15149 1/20 0.50
▸ APAF1 O14727 1/20 0.50

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
SCHEMBL146034 0.86 IDO1 (0.45) MAPTGAAL3MBTL1ALDH1A1ALOX15
SCHEMBL18660184 0.84 HTT (0.47) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL14831872 0.83 HPGD (0.50) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL18232475 0.81 LOXL2 (0.41) CA1CA2CA12CA9
SCHEMBL25018210 0.80 ADRB2 (0.52) KMT2AALDH1A1POLBHPGDKDM4E
SCHEMBL5308930 0.80 MEN1 (0.53) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL14832179 0.79 SPHK1 (0.47) GAAALDH1A1RAB9ANPC1CA2
SCHEMBL854818 0.78 L3MBTL1 (0.64) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL7794063 0.77 MAPT (0.58) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL25095026 0.77 TSHR (0.40) MAPTL3MBTL1ALDH1A1ALOX15HPGD

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-10059829-B2 Rubber composition, tire, amine compound, and anti-aging agent OTSUKA CHEMICAL CO., LTD. (JP) 2018-08-28 — — US disclosed
EP-3147321-B1 RUBBER COMPOSITION, TIRE, AMINE COMPOUND AND ANTI-AGING AGENT OTSUKA CHEMICAL CO LTD (JP) 2018-06-13 — — EP disclosed
US-20170166727-A1 RUBBER COMPOSITION, TIRE, AMINE COMPOUND, AND ANTI-AGING AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2017-06-15 — — US disclosed
US-20170166727-A1 RUBBER COMPOSITION, TIRE, AMINE COMPOUND, AND ANTI-AGING AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2017-06-15 — — US disclosed
EP-3147321-A1 RUBBER COMPOSITION, TIRE, AMINE COMPOUND AND ANTI-AGING AGENT Otsuka Chemical Co., Ltd. (JP) 2017-03-29 — — 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 (2 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-20170166727-A1 RUBBER COMPOSITION, TIRE, AMINE COMPOUND, AND ANTI-AGING AGENT RAD54L, POT1, ATR MEN1 2946/4885KMT2A 3339/4885MAPT 1637/4885
US-10059829-B2 Rubber composition, tire, amine compound, and anti-aging agent RAD54L, POT1, ATR MEN1 2946/4885KMT2A 3339/4885MAPT 1637/4885

“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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