SCHEMBL4732364

SCHEMBL4732364

CCOc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1CC1(NC(=O)C(F)(F)F)CCC(NC)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.35
PPARD Q03181 4/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
BDKRB1 P46663 3/20 0.32
SSTR5 P35346 2/20 0.32
CNR1 P21554 1/20 0.32
RET P07949 1/20 0.32
PPARA Q07869 2/20 0.32
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL4732770 0.91 MLYCD (0.34) RARBRARGBDKRB1CNR1KMT2A
SCHEMBL4735928 0.86 BDKRB1 (0.35) BDKRB1CNR1
Hydrochloric Acid SCHEMBL4731286 0.84 SRD5A2 (0.35) SRD5A2PPARDRXRARXRBRXRG
SCHEMBL4732313 0.81 KIF11 (0.38) PPARDPPARAALDH1A1TSHR
SCHEMBL4733934 0.80 CNR1 (0.33) BDKRB1CNR1ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL4731288 0.80 NPBWR1 (0.45) SRD5A2PPARDRXRARXRBRXRG
SCHEMBL4734027 0.79 KIF11 (0.39) BDKRB1CNR1KMT2AMEN1
SCHEMBL4734506 0.79 CYP1A2 (0.32) BDKRB1CNR1ALDH1A1LMNAKDM4E
Trifluoroacetic Acid SCHEMBL4732367 0.78 PPARD (0.42) SRD5A2PPARDRXRARXRBRXRG
SCHEMBL4731162 0.78 CYP1A2 (0.31)

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 8 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-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 SRD5A2 1882/4885PPARD 1379/4885RXRA 935/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX SRD5A2 502/4885PPARD 630/4885RXRA 786/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SRD5A2 1882/4885PPARD 1379/4885RXRA 935/4885
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 SRD5A2 2130/4885PPARD 345/4885RXRA 877/4885

“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.