SCHEMBL2936729

SCHEMBL2936729

Oc1c(-c2ccccc2)ccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BACE1 P56817 1/20 0.44
ALOX5 P09917 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HNF4A P41235 1/20 0.42
RPS6KA3 P51812 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
PTGS1 P23219 3/20 0.39
MEN1 O00255 2/20 0.39
PTGS2 P35354 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL29351964 0.83 BACE1 (0.50) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL28064777 0.83 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL27692000 0.83 BACE1 (0.50) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL4827374 0.80 PTGS2 (0.50) PTGS1PTGS2LMNAMAPT
SCHEMBL1685615 0.79 ALOX5AP (0.47) BACE1ALOX5HPGDALDH1A1BCL2L1
SCHEMBL38655539 0.79 HDAC4 (0.44) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL3976573 0.78 HDAC4 (0.61) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL29131318 0.77 ALOX5AP (0.46) BACE1ALOX5HPGDALDH1A1BCL2L1
SCHEMBL25422255 0.77 ABL1 (0.41) BACE1RPS6KA3ESR1ESR2HSD17B1
Boric Acid SCHEMBL14932061 0.77 ALOX5AP (0.42) BACE1ALOX5HPGDALDH1A1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-20200392172-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-12-17 US disclosed
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
WO-2020071778-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE 엘티소재주식회사 2020-04-09 WO disclosed
CN-110903321-A Metal complexes containing fluorine substitution 北京夏禾科技有限公司 2020-03-24 CN disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 US disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 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 (5 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-20200392172-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OTC, OCIAD2, OCIAD1 HDAC4 3022/4885HDAC2 3002/4885HDAC8 3565/4885
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 HDAC4 515/4885HDAC2 589/4885HDAC8 1205/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 HDAC4 515/4885HDAC2 589/4885HDAC8 1205/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A HDAC4 3391/4885HDAC2 2146/4885HDAC8 3680/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 HDAC4 515/4885HDAC2 589/4885HDAC8 1205/4885

“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.