SCHEMBL3593818

SCHEMBL3593818

CCOc1cccc2c(O)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
ESR1 P03372 9/20 0.46
ESR2 Q92731 9/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
GAA P10253 5/20 0.46
MAPT P10636 4/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
JAK2 O60674 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2A6 P11509 1/20 0.45
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL2024753 0.88 IDO1 (0.65) IDO1MEN1KMT2AGAAMAPT
SCHEMBL31376718 0.88 IDO1 (0.65) IDO1MEN1KMT2AGAAMAPT
SCHEMBL3818341 0.87 ALDH1A1 (0.54) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL30503999 0.87 ALDH1A1 (0.54) MEN1KMT2AGAAMAPTNPSR1
SCHEMBL991493 0.85 IDO1 (0.56) IDO1ESR1ESR2MEN1KMT2A
SCHEMBL5596066 0.83 IDO1 (0.54) IDO1ESR1ESR2GAAMAPT
SCHEMBL8956192 0.82 ALOX5 (0.44) MEN1KMT2AGAAMAPTCYP2A6
SCHEMBL9315152 0.82 IDO1 (0.53) IDO1MEN1KMT2AGAAMAPT
SCHEMBL1053091 0.81 ALDH1A1 (0.58) MEN1KMT2AGAAMAPTALOX15
SCHEMBL24194097 0.81 MAPT (0.52) IDO1MEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2557103-B1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2014-11-26 EP disclosed
US-8519065-B2 Epoxy compound, curable composition, and cured product thereof DIC CORPORATION (JP) 2013-08-27 US disclosed
US-20130144030-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DIC CORPORATION (JP) 2013-06-06 US disclosed
EP-2557103-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DIC Corporation (JP) 2013-02-13 EP disclosed
EP-2495245-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2012-09-05 EP disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
EP-1765821-A4 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-20 EP disclosed
EP-1765821-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
US-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. 2006-04-06 US disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO disclosed
US-5780571-A RESIN OBTAINED BY CONDENSATION OF NAPHTHOL AND 4,4*-BIS/CHLOROMETHYL/BIPHENYL, OPTIONALLY REACTED WITH EPICHLOROHYDRIN NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-07-14 US disclosed
US-5707557-A Photochromic 3H-naphthopyrans OPTISCHE WERKE G. RODENSTOCK (DE) 1998-01-13 US disclosed
EP-0644216-B1 NAPHTHALENE-RING RESIN, RESIN COMPOSITION, AND CURED PRODUCT THEREOF NIPPON KAYAKU KK (JP) 1996-07-17 EP disclosed
EP-0644216-A1 NAPHTHALENE-RING RESIN, RESIN COMPOSITION, AND CURED PRODUCT THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-03-22 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 (3 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-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation MGAM, GSK3B, GSK3A IDO1 1133/4885ESR1 3574/4885ESR2 4514/4885
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A IDO1 1133/4885ESR1 3574/4885ESR2 4514/4885
US-20130144030-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF HEATR1, EEF1A1, EPN1 IDO1 4224/4885ESR1 261/4885ESR2 214/4885

“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.