SCHEMBL732865

SCHEMBL732865

C=C(OCC)c1c(OC)cc(C(=O)OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HSD17B2 P37059 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CNR2 P34972 1/20 0.44
MAPT P10636 5/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 2/20 0.40

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
SCHEMBL22164043 0.81 KDM4E (0.49) KDM4EALDH1A1MAPTCA12CA1
SCHEMBL16013103 0.78 MAPT (0.49) KDM4EALDH1A1MEN1KMT2ACNR2
SCHEMBL423970 0.78 HSD17B2 (0.51) KDM4EHSD17B2ALDH1A1MEN1KMT2A
SCHEMBL22167771 0.78 KDM4E (0.46) KDM4EALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL25115662 0.77 USP10 (0.42) KDM4EHSD17B2ALDH1A1MEN1KMT2A
SCHEMBL24885565 0.76 KDM4E (0.51) KDM4EHSD17B2ALDH1A1MEN1KMT2A
SCHEMBL2389583 0.75 TDP1 (0.57) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL11519523 0.75 CYP3A4 (0.50) KDM4EALDH1A1MEN1KMT2ACNR2
SCHEMBL20763257 0.74 KMT2A (0.54) KDM4EHSD17B2ALDH1A1MEN1KMT2A
SCHEMBL10317975 0.74 HSD17B2 (0.58) KDM4EHSD17B2ALDH1A1MEN1KMT2A

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 10 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
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US 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
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US 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
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 KDM4E 3445/4885HSD17B2 651/4885ALDH1A1 113/4885

“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.