SCHEMBL732756

SCHEMBL732756

COc1ccc(-c2cc[c]cc2OCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
BACE1 P56817 2/20 0.39
TLR8 Q9NR97 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NR1I2 O75469 1/20 0.35
MAPT P10636 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
SCHEMBL215578 0.86 ADORA3 (0.43) SYKAURKBINCENPBACE1ABL1
SCHEMBL9268604 0.84 ABL1 (0.42) SYKAURKBINCENPBACE1KMT2A
SCHEMBL7390535 0.79 TUBB1 (0.44) MEN1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL2458803 0.79 TUBB1 (0.41) MEN1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL28510664 0.76 L3MBTL1 (0.38) SYKBACE1ABL1ABCB1BCR
SCHEMBL27272353 0.76 LTA4H (0.50) SYKAURKBINCENPBACE1MEN1
SCHEMBL16719656 0.76 ESR2 (0.47) BACE1MEN1KMT2AESR2ABL1
SCHEMBL6096838 0.74 LTA4H (0.47) BACE1MEN1KMT2AABL1ABCB1
SCHEMBL1644788 0.74 ABL1 (0.42) SYKAURKBINCENPBACE1KMT2A
SCHEMBL3542668 0.74 ABL1 (0.42) BACE1KMT2AESR2ABL1ABCB1

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 SYK 3297/4885AURKB 278/4885INCENP 470/4885

“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.