SCHEMBL1508636

SCHEMBL1508636

Cc1cc(C)c2c(c1)[C@@H](O)CC2

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.82
SIGMAR1 Q99720 1/20 0.40
ELAVL1 Q15717 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
OPRL1 P41146 1/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
DRD2 P14416 3/20 0.30
DRD1 P21728 3/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL6799194 0.90 UGT2B17 (1.00) UGT2B17SIGMAR1ELAVL1KDM4CTAS1R3
SCHEMBL30786045 0.81 UGT2B17 (0.56) UGT2B17ELAVL1
SCHEMBL22548686 0.81 UGT2B17 (0.56) UGT2B17ELAVL1CYP11B1CYP11B2
SCHEMBL29121861 0.81 UGT2B17 (0.56) UGT2B17ELAVL1OPRL1
SCHEMBL20362246 0.81 UGT2B17 (0.56) UGT2B17ELAVL1
SCHEMBL412687 0.78 UGT2B17 (0.56) UGT2B17SIGMAR1KDM4CTAS1R3TAS1R1
SCHEMBL22548685 0.77 UGT2B17 (0.51) UGT2B17CYP11B1CYP11B2
SCHEMBL9279331 0.77 UGT2B17 (0.51) UGT2B17CYP11B1CYP11B2
SCHEMBL13930569 0.76 UGT2B17 (0.50) UGT2B17ELAVL1CYP11B1CYP11B2
SCHEMBL13114074 0.76 UGT2B17 (0.55) UGT2B17SIGMAR1KDM4CDRD2DRD1

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-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 CN disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 UGT2B17 862/4885SIGMAR1 2033/4885ELAVL1 2349/4885

“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.