SCHEMBL4003679

SCHEMBL4003679

COC(=O)C(O)(Cc1ccccc1OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SLC6A2 P23975 4/20 0.45
HTT P42858 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4012727 0.79 KCNN4 (0.56) KCNN4MEN1KMT2AHIF1A
SCHEMBL10881439 0.79 KCNN4 (0.56) KCNN4MEN1KMT2AHIF1A
SCHEMBL27995401 0.77 HPGD (0.47) MEN1KMT2ANPC1RAB9AMTNR1A
SCHEMBL808941 0.77 IDO1 (0.50) MEN1KMT2ANPC1RAB9AMTNR1A
SCHEMBL4014494 0.75 KCNN4 (0.60) KCNN4MEN1KMT2ANPC1RAB9A
SCHEMBL4166704 0.75 KCNN4 (0.60) KCNN4MEN1KMT2ANPC1RAB9A
SCHEMBL11228441 0.75 KCNN4 (0.60) KCNN4MEN1KMT2ANPC1RAB9A
SCHEMBL27995453 0.75 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMTNR1A
SCHEMBL27995642 0.75 MTNR1A (0.46) MEN1KMT2ANPC1RAB9AMTNR1A
SCHEMBL14874559 0.74 KMT2A (0.47) MEN1KMT2AGAAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 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-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 KCNN4 2499/4885MEN1 4171/4885KMT2A 4582/4885

“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.