SCHEMBL584614

SCHEMBL584614

Cc1c(F)ccc(C=O)c1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.42
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KCNJ1 P48048 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL5232154 0.84 ERN1 (0.43) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL6438818 0.82 ALDH1A1 (0.43) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL4293546 0.82 ERN1 (0.42) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL13743324 0.78 TSHR (0.36) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL19862054 0.78 ALDH1A1 (0.35) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL12593983 0.78 ERN1 (0.40) ERN1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5643995 0.78 ERN1 (0.59) ERN1
SCHEMBL16415856 0.78 ERN1 (0.39) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL21121085 0.78 TDP1 (0.42) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL31104367 0.78 ALDH1A1 (0.35) ERN1ALDH1A1TSHRKCNJ1TDP1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514873-B1 Process for oxidation of organic substrates and catalyst compositions for performing the same EVONIK DEGUSSA GMBH (DE) 2008-03-19 EP claimed
EP-1514873-A1 Process for oxidation of organic substrates and catalyst compositions for performing the same Degussa AG (DE) 2005-03-16 EP claimed
CN-117881669-A Condensed ring heteroaryl compounds and uses thereof 比西切姆有限公司 2024-04-12 CN disclosed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO disclosed
CN-108101930-B Micromolecule receptor material containing benzothiadiazolothiophene unit and preparation method and application thereof 武汉大学 2020-10-30 CN disclosed
EP-3224237-A1 NECROSIS INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2017-10-04 EP disclosed
WO-2016101885-A1 NECROSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-06-30 WO disclosed
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20030181552-A1 Polymer additive compositions and articles comprising novel fluorinated and alkylated alditol derivatives ANDERSON JOHN D (US) 2003-09-25 US disclosed
US-20030171462-A1 Polyolefin compositions and articles comprising novel fluorinated and alkylated alditol derivatives ANDERSON JOHN D (US) 2003-09-11 US disclosed
US-20030139612-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ANDERSON JOHN D (US) 2003-07-24 US disclosed
EP-1313741-A2 FLUORINATED AND ALKYLATED ALDITOL DERIVATIVES AND POLYOLEFIN ARTICLES CONTAINING SAME Milliken & Company (US) 2003-05-28 EP disclosed
US-6548581-B2 Radiation transparent polyolefin MILLIKEN & COMPANY 2003-04-15 US disclosed
US-20030013786-A1 Novel asymmetric halogen-alkyl alditol derivatives as nucleators and clarifiers for polyolefins, and polyolefin plastic compositions containing same MILLIKEN & COMPANY 2003-01-16 US disclosed
WO-2002076385-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO disclosed
US-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same MILLIKEN &COMPANY 2002-05-23 US disclosed
WO-2002020528-A2 FLUORINATED AND ALKYLATED ALDITOL DERIVATIVES AND POLYOLEFIN ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-03-14 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 (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-20030139612-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ALDOA, SORD, ADH1A ERN1 2389/4885ALDH1A1 107/4885TSHR 4515/4885
US-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ALDOA, SORD, DERA ERN1 2583/4885ALDH1A1 110/4885TSHR 4548/4885

“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.