SCHEMBL102335

SCHEMBL102335

CC1(c2ccc(OC3CC3)cn2)NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.44
MMP14 P50281 7/20 0.44
MMP12 P39900 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL1092530 0.80 LMNA (0.54) MMP13MMP14MMP12MEN1KMT2A
SCHEMBL102476 0.78 KMT2A (0.45) MEN1KMT2ATNFLMNA
SCHEMBL106684 0.66 ACACB (0.48) CYP4F2CYP4A11
SCHEMBL32666977 0.66 PTK2 (0.51)
SCHEMBL105177 0.66 CHRM4 (0.52)
SCHEMBL1091816 0.65 MEN1 (0.42) MMP13MMP14MEN1KMT2ALMNA
SCHEMBL22663454 0.65 AXL (0.44) CYP4F2CYP4A11
SCHEMBL541337 0.65 MEN1 (0.68) MMP13MMP14MMP12MEN1KMT2A
SCHEMBL10328687 0.64 KDM4E (0.53) KMT2A
SCHEMBL31547061 0.64 KDM4E (0.53) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 MMP13 1019/4885MMP14 3754/4885MMP12 1266/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR MMP13 274/4885MMP14 1080/4885MMP12 406/4885

“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.