SCHEMBL4375652

SCHEMBL4375652

COc1ccc2c([c]c(C)n2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
RGS12 O14924 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
GNAI1 P63096 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
PLA2G2A P14555 1/20 0.49
CCR2 P41597 3/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL27789954 0.93 CCR2 (0.52) ALDH1A1MAPTMEN1RGS12LMNA
SCHEMBL4541878 0.93 ALDH1A1 (0.53) ALDH1A1MAPTMEN1RGS12LMNA
SCHEMBL8360274 0.88 ALDH1A1 (0.52) ALDH1A1MAPTTSHRMAPK1KMT2A
SCHEMBL4381040 0.88 ALDH1A1 (0.48) ALDH1A1MAPTMEN1RGS12LMNA
SCHEMBL15062678 0.85 PLA2G2A (0.43) ALDH1A1MAPTMEN1RGS12LMNA
SCHEMBL27889088 0.83 MEN1 (0.47) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL15062692 0.82 PLA2G2A (0.46) ALDH1A1MAPTMEN1RGS12LMNA
SCHEMBL4378623 0.81 PLA2G2A (0.52) MAPTMEN1KMT2APLA2G2ATP53
SCHEMBL3088631 0.79 P2RX4 (0.54) ALDH1A1MAPTMEN1LMNANFKB1
SCHEMBL2071948 0.79 GABRA1 (0.54) ALDH1A1MAPTMEN1PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (2 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 ALDH1A1 2826/4885MAPT 74/4885MEN1 1292/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885MAPT 74/4885MEN1 1292/4885

“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.