SCHEMBL593127

SCHEMBL593127

O=C(O)c1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.61
HNF4A P41235 1/20 0.57
KMT2A Q03164 2/20 0.50
BCAT2 O15382 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
BCL2L1 Q07817 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL23911685 0.90 FOLH1 (0.52) FOLH1HNF4AKMT2ABCAT2CA12
SCHEMBL13966792 0.89 MMP9 (0.55) FOLH1HNF4AKMT2ACA12CA1
SCHEMBL29501734 0.88 ALDH1A1 (0.59) FOLH1HNF4AKMT2ABCAT2CA12
SCHEMBL23521242 0.87 FOLH1 (0.53) FOLH1HNF4AKMT2ABCAT2CA12
SCHEMBL36146 0.87 HNF4A (0.66) FOLH1HNF4AKMT2ABCAT2CA12
SCHEMBL29376910 0.87 HNF4A (0.66) FOLH1HNF4AKMT2ABCAT2CA12
SCHEMBL3264678 0.87 CA12 (0.64) FOLH1HNF4AKMT2ABCAT2CA12
SCHEMBL10029663 0.85 HNF4A (0.52) FOLH1HNF4AKMT2ABCAT2ALDH1A1
Hydrochloric Acid SCHEMBL993304 0.85 HNF4A (0.63) FOLH1HNF4AKMT2ABCAT2CA12
SCHEMBL6661257 0.85 HNF4A (0.63) FOLH1HNF4AKMT2ABCAT2CA12

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
US-4733949-A LOW TEMPERATURE RESPONSE TIME HITACHI, LTD. (JP) 1988-03-29 US claimed
JP-10228670-A None JP disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
JP-H10228670-A INFORMATION RECORDING MEDIUM DAINIPPON PRINTING CO LTD 1998-08-25 JP disclosed
US-5387371-A Ferroelectric liquid-crystalline media, and their use in electro-optical devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0332025-B1 CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES MERCK PATENT GmbH (DE) 1993-06-23 EP disclosed
EP-0202341-B1 DICHROIC AZO DYES MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-03-28 EP disclosed
US-4734218-A COLOR DISPLAY MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-03-29 US disclosed
US-4733949-A LOW TEMPERATURE RESPONSE TIME HITACHI, LTD. (JP) 1988-03-29 US disclosed
EP-0202341-A1 DICHROIC AZO DYES MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-11-26 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-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION DBH, DDT, CYCS FOLH1 1026/4885HNF4A 957/4885KMT2A 1775/4885

“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.