SCHEMBL5676017

SCHEMBL5676017

O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.64
PLOD3 O60568 2/20 0.62
PLOD1 Q02809 2/20 0.62
PTPN1 P18031 2/20 0.60
GSK3B P49841 1/20 0.56
MMP1 P03956 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
KIF11 P52732 2/20 0.47
HSD11B1 P28845 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
SRD5A2 P31213 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL313164 0.95 PLOD2 (0.70) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL31492946 0.89 RXRA (0.61) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL6666160 0.84 PLOD2 (0.66) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL29987081 0.83 PTPN1 (0.75) PLOD2PTPN1GSK3BMMP1CES2
SCHEMBL11139436 0.83 PTPN1 (0.60) PTPN1GSK3BMMP1CES2CES1
SCHEMBL11137727 0.83 PLOD2 (0.64) PLOD2PLOD3PLOD1GSK3BCES2
SCHEMBL19919893 0.81 PTPN1 (0.67) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL31019373 0.81 PTPN1 (0.62) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL28718057 0.81 PLOD2 (0.66) PLOD2PLOD3PLOD1PTPN1HDAC1
SCHEMBL11137241 0.80 PTPN1 (0.57) PTPN1GSK3BMMP1CES2CES1

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-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MRDC 2006-06-29 US disclosed
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US disclosed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP disclosed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP disclosed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US disclosed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO disclosed
US-4382012-A Liquid crystalline diketones MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1983-05-03 US disclosed
US-4297515-A Diketones useful as liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-10-27 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-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PLOD2 3718/4885PLOD3 4097/4885PLOD1 3548/4885
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PLOD2 3666/4885PLOD3 3975/4885PLOD1 3429/4885

“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.