SCHEMBL1983100

SCHEMBL1983100

CCOC(=O)c1cnc2ccc(C(C)(C)C)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MAPT P10636 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
GAA P10253 4/20 0.47
NPC1 O15118 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
PAX8 Q06710 1/20 0.46
ATM Q13315 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE5A O76074 1/20 0.46
MAPK10 P53779 1/20 0.45

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
SCHEMBL10341229 0.90 THRB (0.49) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL651326 0.89 PDE5A (0.56) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL1285507 0.86 MAPT (0.51) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL6200293 0.84 MAPK1 (0.55) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL1467161 0.84 MAPK1 (0.65) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL11066821 0.83 MEN1 (0.51) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL618410 0.82 MAPT (0.62) MAPTMEN1KMT2AGAARAB9A
SCHEMBL1616605 0.82 MAPK1 (0.53) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL12850078 0.82 MEN1 (0.50) MAPK1MAPTMEN1KMT2AGAA
SCHEMBL529424 0.82 MAPK1 (0.66) MAPK1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115612309-A Biheterocyclic diester-based azo disperse dye and preparation method thereof 浙江博澳新材料股份有限公司 2023-01-17 CN claimed
CN-115612309-B Double-heterocycle diester azo disperse dye and preparation method thereof 浙江博澳新材料股份有限公司 2023-07-21 CN disclosed
CN-115612309-A Biheterocyclic diester-based azo disperse dye and preparation method thereof 浙江博澳新材料股份有限公司 2023-01-17 CN disclosed
US-8440691-B2 Tetrahydroquinolinyl compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. (US) 2013-05-14 US disclosed
EP-2527339-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof Abbott Laboratories (US) 2012-11-28 EP disclosed
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-7812019-B2 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBOTT LABORATORIES (US) 2010-10-12 US disclosed
EP-1844038-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-17 EP disclosed
WO-2006065484-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-22 WO disclosed
US-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. 2006-06-15 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 (2 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-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof CACNA1E, CACNA1D, CACNA1S MAPK1 817/4885MAPT 4880/4885MEN1 2383/4885
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF CACNA1E, CACNA1D, CACNA1S MAPK1 817/4885MAPT 4880/4885MEN1 2383/4885

“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.