SCHEMBL730859

SCHEMBL730859

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
ACHE P22303 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
HTR2C P28335 1/20 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
SCHEMBL5461153 0.85 HTR1A (0.51) CNR2ACHESMN1; SMN2HSD17B10TSHR
SCHEMBL730024 0.82 CYP3A4 (0.47) ACHEALDH1A1
SCHEMBL733133 0.81 PDGFRB (0.47) KDM4EALDH1A1HPGDRELAHTR1A
SCHEMBL733034 0.81 TSHR (0.43) CNR2SMN1; SMN2TSHRNPC1TP53
SCHEMBL733057 0.79 CA1 (0.44) CNR2SMN1; SMN2HSD17B10TSHRKDM4E
SCHEMBL8093287 0.78 CYP1A1 (0.44) CNR2ACHESMN1; SMN2HSD17B10TSHR
SCHEMBL733076 0.77 ACHE (0.40) CNR2ACHESMN1; SMN2KDM4ENPC1
SCHEMBL28618241 0.77 AKR1C3 (0.48) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL28451770 0.76 PDE4A (0.41) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL8801058 0.76 PDE4A (0.50) ACHESMN1; SMN2HSD17B10TSHRKDM4E

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 CNR2 503/4885ACHE 2919/4885SMN1; SMN2 3531/4885

“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.