SCHEMBL9809559

SCHEMBL9809559

Oc1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
KIF11 P52732 1/20 0.54
BACE1 P56817 2/20 0.52
ALDH1A1 P00352 3/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.50
HPGD P15428 1/20 0.50
BCL2L1 Q07817 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR2 P34972 3/20 0.49
CNR1 P21554 2/20 0.49
ALOX5AP P20292 2/20 0.48
FEN1 P39748 2/20 0.48
FABP4 P15090 2/20 0.46
GPR3 P46089 1/20 0.46
TSHR P16473 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL16429040 0.86 BACE1 (0.56) ALOX5KIF11BACE1ALDH1A1PTGDR2
SCHEMBL21944868 0.85 GSTP1 (0.49) KIF11BACE1PTGDR2ALOX5APFEN1
SCHEMBL27781322 0.83 KIF11 (0.58) KIF11BACE1ALDH1A1PTGDR2HPGD
SCHEMBL30023096 0.83 KIF11 (0.58) KIF11BACE1ALDH1A1PTGDR2HPGD
SCHEMBL21944790 0.82 ALOX5AP (0.49) KIF11ALDH1A1HSD17B10CNR2CNR1
SCHEMBL21945443 0.81 PTGDR2 (0.51) ALOX5KIF11PTGDR2CNR2CNR1
SCHEMBL14832292 0.80 CNR1 (0.56) KIF11CNR2CNR1ALOX5APFEN1
SCHEMBL30545136 0.80 CNR1 (0.56) KIF11CNR2CNR1ALOX5APFEN1
SCHEMBL13454410 0.80 ALDH1A1 (0.57) ALOX5BACE1ALDH1A1HPGDBCL2L1
SCHEMBL5121382 0.80 APP (0.57) KIF11BACE1ALDH1A1PTGDR2ALOX5AP

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
CN-109503686-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2022-03-11 CN disclosed
CN-108546277-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-108314697-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US 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
EP-2760866-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS Genfit (FR) 2014-08-06 EP disclosed
WO-2013045519-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2013-04-04 WO disclosed
EP-0427829-A1 TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GmbH (DE) 1991-05-22 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-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 ALOX5 1942/4885KIF11 4382/4885BACE1 2625/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 ALOX5 1942/4885KIF11 4382/4885BACE1 2625/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 ALOX5 1942/4885KIF11 4382/4885BACE1 2625/4885

“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.