SCHEMBL8935197

SCHEMBL8935197

COC(=O)CCN(C)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3142548 0.86 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL10907581 0.85 LTA4H (0.48) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL10907740 0.85 KMT2A (0.47) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL9191054 0.84 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL13688687 0.84 KMT2A (0.48) KMT2ARAB9AALDH1A1HTTLMNA
SCHEMBL8911970 0.82 ALDH1A1 (0.46) KMT2ARAB9AALDH1A1MAPTHTT
SCHEMBL11693529 0.82 CYP2A6 (0.46) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL18364960 0.81 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL11331220 0.81 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL11563481 0.80 RAB9A (0.42) KMT2ARAB9AALDH1A1MAPTHTT

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-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 KMT2A 984/4885MEN1 1020/4885RAB9A 2782/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885MEN1 1851/4885RAB9A 2323/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885MEN1 3512/4885RAB9A 3123/4885

“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.