SCHEMBL18063410

SCHEMBL18063410

CC(C)CC(O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MAPK1 P28482 1/20 0.54
▸ ELANE P08246 1/20 0.54
▸ ALDH1A1 P00352 7/20 0.53
▸ MAPT P10636 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ MMP1 P03956 2/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP3 P08254 2/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL8939993 0.85 ALDH1A1 (0.64) KMT2AMAPK1ALDH1A1MAPTRAB9A
SCHEMBL14928576 0.82 ELANE (0.53) KMT2AELANEALDH1A1MMP1MMP2
SCHEMBL10210078 0.82 ELANE (0.53) KMT2AELANEALDH1A1MMP1MMP2
SCHEMBL2875215 0.82 KMT2A (0.59) KMT2AMAPK1ALDH1A1MAPTRAB9A
SCHEMBL22242662 0.82 KMT2A (0.59) KMT2AMAPK1ALDH1A1MAPTRAB9A
SCHEMBL2875218 0.82 KMT2A (0.59) KMT2AMAPK1ALDH1A1MAPTRAB9A
SCHEMBL17280822 0.82 ALDH1A1 (0.64) KMT2AMAPK1ELANEALDH1A1MAPT
SCHEMBL3435525 0.82 ALDH1A1 (0.64) KMT2AMAPK1ELANEALDH1A1MAPT
SCHEMBL6699242 0.82 ALDH1A1 (0.64) KMT2AMAPK1ELANEALDH1A1MAPT
SCHEMBL17595505 0.82 MAPK1 (0.59) KMT2AMAPK1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 — — US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 — — 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 (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-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION BET1, PLEC, NUDC KMT2A 3858/4885MAPK1 2303/4885ELANE 1815/4885

“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.

Send feedback