SCHEMBL13830366

SCHEMBL13830366

CC1(C)OB(c2ccc3[nH]c(C(=O)O)cc3c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.54
SMAD3 P84022 1/20 0.51
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PDPK1 O15530 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SRD5A2 P31213 2/20 0.46
MAPT P10636 1/20 0.46
DAO P14920 1/20 0.46
KMT2A Q03164 1/20 0.45
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL20611918 0.89 EIF4A3 (0.50) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL29134754 0.88 MMP2 (0.40) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL2735974 0.85 XDH (0.50) PIN1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL488403 0.82 KDM4E (0.61) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL31692446 0.82 PYGL (0.43) PIN1MAPTKMT2AP4HBLPL
SCHEMBL15642715 0.76 NPC1 (0.48) KDM4EHPGDALDH1A1LMNAKMT2A
SCHEMBL17206080 0.76 LIPG (0.55) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL28292828 0.76 CYP2A6 (0.45) P4HBLPLLIPG
SCHEMBL2098959 0.75 CA9 (0.50) MAPTKMT2ALPLLIPG
SCHEMBL16567346 0.75 LPL (0.42) DAOP4HBLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS HOFFMANN-LA ROCHE INC. (US) 2015-10-01 US disclosed
EP-2909190-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
WO-2014060386-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
EP-2722329-A1 Indol-amide compounds as beta-amyloid inhbitors F. Hoffmann-La Roche AG (CH) 2014-04-23 EP disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 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 (4 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A PIN1 517/4885SMAD3 2354/4885KDM4E 4722/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 PIN1 612/4885SMAD3 1379/4885KDM4E 4611/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 PIN1 612/4885SMAD3 1379/4885KDM4E 4611/4885
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS APP, BACE1, IAPP PIN1 61/4885SMAD3 652/4885KDM4E 3106/4885

“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.