SCHEMBL2250859

SCHEMBL2250859

COC(=O)C(OCC=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KLK7 P49862 1/20 0.39

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
SCHEMBL2253921 0.86 KMT2A (0.50) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL4302230 0.83 CYP2D6 (0.47) KMT2AMEN1ALDH1A1LMNA
SCHEMBL16672466 0.81 KMT2A (0.56) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL28065294 0.80 KMT2A (0.55) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL27634779 0.80 KMT2A (0.55) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL9675264 0.80 KMT2A (0.55) KMT2AMEN1TSHRALDH1A1PKM
SCHEMBL2250873 0.80 KMT2A (0.44) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL2250869 0.80 KMT2A (0.44) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL27480709 0.79 KMT2A (0.53) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL28225643 0.79 KMT2A (0.53) KMT2AMEN1TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
EP-2531503-A1 GAMMA SECRETASE MODULATERS F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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 (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-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B KMT2A 1831/4885MEN1 2349/4885TSHR 4380/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 KMT2A 739/4885MEN1 2633/4885TSHR 4608/4885

“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.