SCHEMBL730369

SCHEMBL730369

COc1c[c]cc(OCCO)c1-c1cnn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
FGFR3 P22607 11/20 0.39
FGFR1 P11362 10/20 0.39
FGFR2 P21802 9/20 0.39
FGFR4 P22455 9/20 0.39
ERN1 O75460 1/20 0.39
PDK2 Q15119 1/20 0.37
FYN P06241 2/20 0.37
KDR P35968 9/20 0.37
FLT3 P36888 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
BRD4 O60885 1/20 0.36
MET P08581 1/20 0.35
TTK P33981 1/20 0.35

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
SCHEMBL732421 0.87 PLAU (0.45) PLAUERN1FYNFLT3AAK1
SCHEMBL731170 0.86 PLAU (0.39) PLAUFGFR2ERN1FYNFLT3
SCHEMBL730668 0.80 KDM4E (0.39) PLAUFGFR2AAK1BRD4TTK
SCHEMBL730845 0.75 ALDH1A1 (0.42)
SCHEMBL4274681 0.69 HSD17B10 (0.32)
SCHEMBL732364 0.68 AAK1 (0.41) PLAUERN1FYNAAK1BRD4
SCHEMBL733242 0.67 CNR2 (0.55) PLAUFGFR3FGFR2ERN1AAK1
SCHEMBL24731373 0.67 BRD4 (0.45) FGFR3FGFR1FGFR2FGFR4PDK2
SCHEMBL731007 0.66 TSHR (0.49) PLAUFGFR3FGFR1FGFR2FGFR4
SCHEMBL27316670 0.66 PDK2 (0.46) FGFR3FGFR1FGFR2FGFR4ERN1

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 PLAU 4523/4885FGFR3 1130/4885FGFR1 774/4885

“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.