SCHEMBL4008245

SCHEMBL4008245

COC(=O)C(O)(Cc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.50
PTPN1 P18031 3/20 0.45
PTPN2 P17706 1/20 0.45
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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 0.90 KCNN4 (0.56) KCNN4PTPN1PTPN2PTPRAPTPRB
SCHEMBL10881439 0.90 KCNN4 (0.56) KCNN4PTPN1PTPN2PTPRAPTPRB
SCHEMBL4012715 0.79 KIF11 (0.46) KCNN4PTPN1PTPN2PTPRAPTPRB
SCHEMBL27698267 0.77 CYP1A2 (0.51) PTPRBMMP13HTTMEN1KMT2A
SCHEMBL4014494 0.76 KCNN4 (0.60) KCNN4LMNAHTTMEN1KMT2A
SCHEMBL11228441 0.76 KCNN4 (0.60) KCNN4LMNAHTTMEN1KMT2A
SCHEMBL4166704 0.76 KCNN4 (0.60) KCNN4LMNAGAATSHRHTT
SCHEMBL4012323 0.75 KCNN4 (0.58) KCNN4LMNAGAATSHRHTT
SCHEMBL21656187 0.75 KCNN4 (0.58) KCNN4LMNATSHRHTTMEN1
SCHEMBL7959301 0.75 KCNN4 (0.58) KCNN4LMNAGAATSHRHTT

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 2499/4885PTPN1 4062/4885PTPN2 4695/4885

“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.