SCHEMBL4735239

SCHEMBL4735239

COc1ccc(-c2ccc(OC)c(CNC3CCC(N(C)C(=O)O)CC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP13 P45452 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TACR1 P25103 3/20 0.39
MMP7 P09237 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4735023 0.93 TACR1 (0.44) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4730384 0.91 KMT2A (0.40) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4733172 0.90 FASN (0.47) SIGMAR1PPARGPPARDPPARATACR1
SCHEMBL4729637 0.90 MEN1 (0.46) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4732930 0.89 PDE4A (0.50) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4785168 0.89 CYP1A2 (0.43) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4732157 0.89 PPARA (0.43) MEN1KMT2AKDM4EGAAHTT
SCHEMBL12678362 0.88 GPR119 (0.40) RXFP1MMP1MMP2MMP3MMP13
SCHEMBL4734013 0.88 CHEK1 (0.46) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4734348 0.88 TACR1 (0.37) MEN1KMT2AKDM4EGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO 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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO RXFP1 2112/4885MMP1 1879/4885MMP2 2705/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX RXFP1 4040/4885MMP1 477/4885MMP2 1439/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO RXFP1 2112/4885MMP1 1879/4885MMP2 2705/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO RXFP1 1232/4885MMP1 624/4885MMP2 1172/4885

“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.