SCHEMBL732915

SCHEMBL732915

COc1c[c]cc(OC)c1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.49
APLNR P35414 1/20 0.43
ERN1 O75460 2/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
SMN1; SMN2 Q16637 8/20 0.41
RAB9A P51151 7/20 0.41
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 6/20 0.41
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 5/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 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
SCHEMBL28164659 0.84 RPS6KB2 (0.51) RPS6KB2APLNRERN1PDGFRBPDGFRA
SCHEMBL15859148 0.79 RPS6KB2 (0.51) RPS6KB2ERN1PDGFRBPDGFRASMN1; SMN2
SCHEMBL15866581 0.79 RPS6KB2 (0.51) RPS6KB2APLNRERN1PDGFRBPDGFRA
SCHEMBL26259633 0.77 RPS6KB2 (0.49) RPS6KB2APLNRERN1PDGFRBPDGFRA
SCHEMBL5605531 0.73 ALDH1A1 (0.50) RPS6KB2APLNRERN1PDGFRBPDGFRA
SCHEMBL2780877 0.72 RPS6KB2 (0.56) RPS6KB2ERN1PDGFRBPDGFRASMN1; SMN2
SCHEMBL6068140 0.72 ERN1 (0.56) RPS6KB2ERN1RAB9AALDH1A1NPC1
SCHEMBL7135870 0.71 MAPT (0.52) RPS6KB2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL1284485 0.71 APP (0.62) RPS6KB2APLNRERN1PDGFRBPDGFRA
SCHEMBL7151212 0.71 RPS6KB2 (0.50) RPS6KB2APLNRERN1PDGFRBPDGFRA

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 RPS6KB2 268/4885APLNR 1822/4885ERN1 719/4885

“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.