SCHEMBL416843

SCHEMBL416843

O=Cc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
XDH P47989 1/20 0.47
BACE1 P56817 2/20 0.43
NR1H3 Q13133 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 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
Ammonia Solution, Strong SCHEMBL6558306 0.98 KIF11 (0.48) KIF11XDHBACE1NR1H3MEN1
SCHEMBL23367029 0.86 XDH (0.45) KIF11XDHBACE1MEN1LMNA
SCHEMBL9989089 0.84 ENPP1 (0.42) KIF11BACE1NR1H3MAOBCYP1A2
SCHEMBL30497064 0.84 LMNA (0.60) XDHMEN1LMNATHRBBLM
SCHEMBL11768743 0.84 LMNA (0.60) XDHMEN1LMNATHRBBLM
SCHEMBL28922004 0.84 MEN1 (0.41) XDHNR1H3MEN1LMNATHRB
SCHEMBL23367122 0.82 XDH (0.42) KIF11XDHBACE1MEN1LMNA
SCHEMBL3371015 0.81 XDH (0.47) KIF11XDHNR1H3MEN1LMNA
SCHEMBL2478195 0.81 RORC (0.50) KIF11MAOBALDH1A1KDM4EPOLB
SCHEMBL17840160 0.80 KIF11 (0.68) KIF11BACE1MAOBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4578522-A CHEMICAL INTERMEDIATES FOR BLOOD LIPID CONTROLLING COMPOUNDS BURROUGHS WELLCOME CO. 1986-03-25 US claimed
US-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 US disclosed
CN-116003320-A Preparation method of phenanthridine compound 武汉理工大学深圳研究院 2023-04-25 CN disclosed
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-10336743-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2019-07-02 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-10138260-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2018-11-27 US disclosed
EP-3271368-B1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2018-10-31 EP disclosed
CN-108495857-A New phospha cyclohexane class compound and azepine phospha cyclohexane class compound, their preparation method and the Pharmaceutical composition comprising them 法国施维雅药厂 2018-09-04 CN disclosed
EP-3271368-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2018-01-24 EP disclosed
WO-1997041111-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID [2-(2H-[1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1997-11-06 WO disclosed
US-5432185-A Treating patients exhibiting acute or chronic ischaemic disorders associated with disorders of microcirculation, without lowering or increasing blood pressure BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
EP-0451654-B1 Use of N-alkylated 1,4-dihydropyridine carboxylic acid esters as drugs, new compounds and process for their preparation BAYER AG (DE) 1994-09-07 EP disclosed
US-5342847-A Antiischetic agents BAYER AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
US-5234935-A Preventing myocardial infarct BAYER AKTIENGESELLSCHAFT (DE) 1993-08-10 US disclosed
EP-0551663-A1 Dimethyl 2,6-dimethyl-1n-propyl-4-(4-trifluormethylphenyl)-1,4-dihydro-pyridine-3,5-dicarboxylate, method for its production and its pharmaceutical use BAYER AG (DE) 1993-07-21 EP disclosed
EP-0451654-A2 Use of N-alkylated 1,4-dihydropyridine carboxylic acid esters as drugs, new compounds and process for their preparation BAYER AG (DE) 1991-10-16 EP disclosed
EP-0059983-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR USE AS A MEDICAMENT THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-11 EP disclosed
US-4578522-A CHEMICAL INTERMEDIATES FOR BLOOD LIPID CONTROLLING COMPOUNDS BURROUGHS WELLCOME CO. 1986-03-25 US disclosed
EP-0059983-A1 Substituted biphenyl compounds for use as a medicament THE WELLCOME FOUNDATION LIMITED (GB) 1982-09-15 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 (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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK KIF11 4651/4885XDH 125/4885BACE1 1662/4885
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 KIF11 2778/4885XDH 1074/4885BACE1 3420/4885
US-10138260-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 KIF11 2778/4885XDH 1074/4885BACE1 3420/4885
US-10336743-B2 Aminopyrimidine kinase inhibitors PIM1, PIM2, PIM3 KIF11 3298/4885XDH 2627/4885BACE1 2408/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 KIF11 2921/4885XDH 949/4885BACE1 3417/4885

“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.