SCHEMBL16005355

SCHEMBL16005355

CC(C)(Cc1ccc2ccccc2c1)OC(=O)OC(C)(C)Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CASR P41180 6/20 0.42
TACR1 P25103 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SLC13A5 Q86YT5 1/20 0.41
CES2 O00748 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16005357 0.89 CYP1A2 (0.46) MMP1MMP9MMP13CYP1A2CYP2A6
SCHEMBL1003604 0.79 CTSK (0.49) CYP1A2CYP2D6SLC6A2CTSK
SCHEMBL20067118 0.77 CYP1A2 (0.50) MMP1MMP9MMP13CYP1A2CYP2A6
SCHEMBL4610682 0.77 CYP1A2 (0.50) MMP1MMP9MMP13CYP1A2CYP2A6
SCHEMBL4609311 0.76 ACACB (0.51) MMP1MMP9MMP13CYP1A2CYP2A6
SCHEMBL4610461 0.75 CYP1A2 (0.55) MMP1MMP9MMP13CYP1A2CYP2A6
SCHEMBL808935 0.75 CYP1A2 (0.55) MMP1MMP9MMP13CYP1A2CYP2A6
SCHEMBL19341333 0.75 CYP2A6 (0.59) CYP1A2CYP2A6CASRKMT2A
SCHEMBL24933495 0.74 CYP1A2 (0.46) MMP1MMP9MMP13CYP1A2CYP2A6
SCHEMBL2914935 0.74 L3MBTL1 (0.49) CYP1A2CYP2A6L3MBTL1SLC6A3CTSB

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-2774923-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE UNIV NAGOYA NAT UNIV CORP (JP) 2016-05-18 EP disclosed
US-8993777-B2 Method for producing phenyl-substituted heterocyclic derivative NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-03-31 US disclosed
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-09-18 US disclosed
EP-2774923-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE National University Corporation Nagoya University (JP) 2014-09-10 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-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE PAH, DDT, NISCH MMP1 4533/4885MMP9 3812/4885MMP13 4349/4885

“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.