SCHEMBL733133

SCHEMBL733133

COc1c[c]cc(OC)c1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
RPS6KB1 P23443 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43
FYN P06241 2/20 0.42
PTGS1 P23219 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RELA Q04206 3/20 0.40
HTR2C P28335 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPK10 P53779 1/20 0.39
AR P10275 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
PDE4B Q07343 2/20 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
SCHEMBL16719946 0.89 FYN (0.43) PDGFRBPDGFRARPS6KB1KDM4EALDH1A1
SCHEMBL730024 0.81 CYP3A4 (0.47) PDGFRBPDGFRAALDH1A1CYP1A1CYP1A2
SCHEMBL730859 0.81 CNR2 (0.46) KDM4EALDH1A1HPGDRELAHTR2C
SCHEMBL733034 0.79 TSHR (0.43) PDGFRBCYP1A1CYP1A2CYP1B1MAPK10
SCHEMBL28618241 0.79 AKR1C3 (0.48) KDM4EALDH1A1HPGDARPDE4B
SCHEMBL16720001 0.79 PDGFRB (0.43) PDGFRBPDGFRARPS6KB1KDM4EALDH1A1
SCHEMBL733057 0.77 CA1 (0.44) KDM4EALDH1A1HPGDPTGS1PDE4B
SCHEMBL12488051 0.76 TAAR1 (0.44) KDM4E
SCHEMBL8801058 0.74 PDE4A (0.50) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL28451770 0.74 PDE4A (0.41) PDGFRBPDGFRAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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 (1 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 PDGFRB 3095/4885PDGFRA 2565/4885RPS6KB1 97/4885

“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.