SCHEMBL2176876

SCHEMBL2176876

COC(=O)Cc1cc(O)c2cc(OC)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
AKR1C3 P42330 2/20 0.50
PTGS1 P23219 1/20 0.50
AKR1C2 P52895 1/20 0.50
HSP90AB1 P08238 1/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
MTNR1A P48039 7/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL11469405 0.86 CYP11B1 (0.51) CYP11B1CYP11B2AKR1C3PTGS1AKR1C2
SCHEMBL3246457 0.85 KMT2A (0.47) CYP11B1CYP11B2HSP90AB1ALDH1A1GAA
SCHEMBL11462809 0.84 CYP11B1 (0.50) CYP11B1CYP11B2AKR1C3PTGS1AKR1C2
SCHEMBL11467699 0.84 HSP90AB1 (0.50) CYP11B1CYP11B2HSP90AB1ALDH1A1GAA
SCHEMBL2171906 0.84 HSP90AB1 (0.50) CYP11B1CYP11B2HSP90AB1ALDH1A1GAA
SCHEMBL2175327 0.83 HSP90AB1 (0.49) HSP90AB1ALDH1A1GAAGFERMAPT
SCHEMBL11469544 0.82 CYP11B1 (0.48) CYP11B1CYP11B2AKR1C3PTGS1AKR1C2
SCHEMBL1448732 0.82 PTGS1 (0.73) CYP11B1CYP11B2AKR1C3PTGS1AKR1C2
SCHEMBL2171172 0.81 HSP90AB1 (0.53) HSP90AB1ALDH1A1GAAGFERNPC1
Methane SCHEMBL9087821 0.80 PTGS1 (0.71) CYP11B1CYP11B2AKR1C3PTGS1AKR1C2

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
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 CYP11B1 392/4885CYP11B2 351/4885AKR1C3 92/4885

“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.