SCHEMBL2500390

SCHEMBL2500390

CC(C)(C)[Si](C)(C)Oc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MRGPRX1 Q96LB2 6/20 0.36
NFE2L2 Q16236 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RHEB Q15382 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
ACHE P22303 1/20 0.33
RAB9A P51151 1/20 0.33
TTR P02766 1/20 0.33
GAA P10253 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
SCHEMBL30556213 0.85 CA1 (0.38) ALDH1A1TDP1KMT2AMEN1ALOX5AP
SCHEMBL3440636 0.85 SLC6A2 (0.39) ALOX5APFEN1
SCHEMBL17621111 0.83 CYP2D6 (0.33) ALDH1A1ESR1MRGPRX1ALOX5APFEN1
SCHEMBL1056366 0.82 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL856992 0.81 TRPA1 (0.41) ALOX5APFEN1
SCHEMBL29787984 0.79 HTT (0.35) ALDH1A1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL2882259 0.79 DRD2 (0.33) ALOX5APFEN1
SCHEMBL29977674 0.78 ALOX5AP (0.34) ALDH1A1ESR1KMT2AMEN1ALOX5AP
SCHEMBL6938316 0.78 ALOX5AP (0.41) ALOX5APFEN1ACHE
SCHEMBL24167590 0.78 CA1 (0.54) ALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332416-B2 Process for synthesizing fluorinated cyclic aliphatic compounds Westfälische Wilhelms-Universität Münster (DE) 2022-05-17 US disclosed
EP-3601203-B1 PROCESS FOR SYNTHESIZING FLUORINATED CYCLIC ALIPHATIC COMPOUNDS UNIV MUENSTER WESTFAELISCHE WILHELMS (DE) 2021-04-07 EP disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-8975439-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2015-03-10 US disclosed
US-8975439-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2015-03-10 US disclosed
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2015-02-12 US disclosed
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2015-02-12 US disclosed
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2013-04-18 US disclosed
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2013-04-18 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed
EP-0649414-B1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES ARDENT PHARMACEUTICALS INC (US) 2003-04-16 EP disclosed
US-5854249-A Opioid diarylmethylpiperazines and piperidines DELTA PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
EP-0649414-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 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 (6 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-11332416-B2 Process for synthesizing fluorinated cyclic aliphatic compounds HRH4, HRH1, AHR ALDH1A1 2748/4885ESR1 4809/4885L3MBTL1 4793/4885
US-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 ALDH1A1 1149/4885ESR1 173/4885L3MBTL1 4560/4885
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 ALDH1A1 923/4885ESR1 1151/4885L3MBTL1 4076/4885
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors MMP11, MMP10, MMP9 ALDH1A1 715/4885ESR1 3195/4885L3MBTL1 4722/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ALDH1A1 36/4885ESR1 3984/4885L3MBTL1 4645/4885
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 ALDH1A1 816/4885ESR1 3185/4885L3MBTL1 4742/4885

“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.