SCHEMBL11154899

SCHEMBL11154899

COc1ccc2cc(C(C)CC(C)=O)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.69
AKR1C3 P42330 7/20 0.62
AKR1C2 P52895 7/20 0.62
PTGS2 P35354 3/20 0.62
PTGS1 P23219 3/20 0.62
TSHR P16473 2/20 0.62
CYP1A2 P05177 2/20 0.62
CDC42 P60953 1/20 0.62
RAC1 P63000 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
CYP2C9 P11712 1/20 0.59
AKR1C1 Q04828 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALOX5 P09917 2/20 0.55
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL14349888 0.89 ABCB11 (0.67) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL3967988 0.89 ABCB11 (0.67) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL988779 0.88 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12836544 0.88 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL17761206 0.88 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL7557544 0.85 AKR1C3 (0.64) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11155802 0.85 ABCB11 (0.61) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL38651836 0.84 AKR1C3 (0.58) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL60543 0.84 AKR1C3 (0.58) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL10586524 0.83 ABCB11 (0.63) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723512-B2 Oligonucleotides comprising a non-phosphate backbone linkage ALNYLAM PHARMACEUTICALS (US) 2010-05-25 US disclosed
US-20090281299-A1 OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-4420639-A Aromatic compounds BEECHAM GROUP LIMITED (GB) 1983-12-13 US 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-20090281299-A1 OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE DUT, PNP, RNGTT ABCB11 4530/4885AKR1C3 908/4885AKR1C2 1308/4885

“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.