SCHEMBL17192561

SCHEMBL17192561

COC(=O)OC1/C=C/C(OC(=O)OC)CC(O)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15748653 0.93
SCHEMBL15748128 0.90 MMP2 (0.31)
SCHEMBL17192607 0.89
SCHEMBL18025067 0.89 ALDH1A1 (0.33) CYP3A4MAPT
SCHEMBL17192540 0.88
SCHEMBL15750146 0.83 SLC6A4 (0.33)
SCHEMBL17190374 0.81 CHRM2 (0.38)
SCHEMBL15747935 0.81 CHRM1 (0.35)
SCHEMBL17696574 0.81 EPHX2 (0.32)
SCHEMBL9599191 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 US disclosed
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2016-04-21 US disclosed
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 US disclosed
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-10-22 US disclosed
US-8993209-B2 Positive-type photosensitive resin composition and black bank of an organic light-emitting device including same LG CHEM, LTD. (KR) 2015-03-31 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 (4 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS CYP3A4 337/4885MAPT 2466/4885KDM4E 1403/4885
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 CYP3A4 31/4885MAPT 2604/4885KDM4E 4100/4885
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION KIT, JMJD7, TPSB2 CYP3A4 102/4885MAPT 4090/4885KDM4E 2952/4885
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS CYP3A4 337/4885MAPT 2466/4885KDM4E 1403/4885

“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.