SCHEMBL15664806

SCHEMBL15664806

CCOC(=O)CC(=O)/C(=C/c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
AKR1C1 Q04828 2/20 0.53
MAPT P10636 7/20 0.51
LMNA P02545 5/20 0.51
NPSR1 Q6W5P4 4/20 0.51
HTT P42858 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 4/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
PLA2G1B P04054 1/20 0.50
CYP1A2 P05177 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 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
SCHEMBL15664807 1.00 MEN1 (0.55) MEN1KMT2AAKR1C1MAPTLMNA
SCHEMBL648889 0.83 MEN1 (0.70) MEN1KMT2AAKR1C1MAPTLMNA
SCHEMBL24704034 0.83 MEN1 (0.70) MEN1KMT2AAKR1C1MAPTLMNA
SCHEMBL7527305 0.83 MEN1 (0.70) MEN1KMT2AAKR1C1MAPTLMNA
SCHEMBL6169402 0.80 AKR1C1 (0.63) MEN1KMT2AAKR1C1MAPTLMNA
SCHEMBL6169399 0.80 AKR1C1 (0.63) MEN1KMT2AAKR1C1MAPTLMNA
SCHEMBL4134410 0.76 MEN1 (0.60) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4134413 0.76 MEN1 (0.60) MEN1KMT2AMAPTLMNANPSR1
Malonic Acid Diethyl Ester SCHEMBL8368278 0.76 MEN1 (0.87) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL11844417 0.76 AKR1C1 (0.61) MEN1KMT2AAKR1C1MAPTLMNA

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-20140128418-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-05-08 US disclosed
EP-2682392-A2 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME EWHA University-Industry Collaboration Foundation (KR) 2014-01-08 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-20140128418-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME PTH1R, SOST, CYP24A1 MEN1 1654/4885KMT2A 2923/4885AKR1C1 767/4885

“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.