SCHEMBL6124197

SCHEMBL6124197

CC(C)c1ccc(C(C)C)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TRPA1 O75762 2/20 0.40
PTGS1 P23219 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CACNA1C Q13936 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
PDE2A O00408 2/20 0.38
RNASEH1 O60930 1/20 0.36
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
TYR P14679 2/20 0.35
EIF4A3 P38919 2/20 0.35
FABP3 P05413 2/20 0.34

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
SCHEMBL21138016 0.88 PDE2A (0.37) LMNATRPA1PTGS1GABRA1GABRB2
SCHEMBL17914472 0.86 PDE2A (0.36) LMNATRPA1PTGS1GABRA1GABRB2
SCHEMBL17973822 0.86 PDE2A (0.41) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL16046628 0.85 PDE2A (0.56) LMNATRPA1PTGS1GABRA1GABRB2
SCHEMBL12527528 0.85 LMNA (0.38) LMNATRPA1PTGS1GABRA1GABRB2
SCHEMBL16958796 0.85 PDE2A (0.35) LMNATRPA1PTGS1GABRA1GABRB2
SCHEMBL19766511 0.85 UGT2B7 (0.48) LMNATRPA1PTGS1GABRA1GABRB2
SCHEMBL24666230 0.84 LMNA (0.42) LMNATRPA1PTGS1GABRA1GABRB2
SCHEMBL24837416 0.83 PDE2A (0.34) LMNATRPA1GABRA1GABRB2PDE2A
Hydrochloric Acid SCHEMBL27798905 0.83 PDE2A (0.46) LMNATRPA1GABRA1GABRB2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2024-07-04 US disclosed
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
WO-2024044327-A1 DHNT MONOMERS AND POLYMER DYES WITH MODIFIED PHOTOPHYSICAL PROPERTIES BECKMAN COULTER, INC. (US) 2024-02-29 WO disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 WO disclosed
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 WO disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 US disclosed
US-20080214815-A1 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-04 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-3997603-A Herbicidal halo-di-alkyl benzenesulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-14 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 (12 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 LMNA 3581/4885TRPA1 1771/4885PTGS1 166/4885
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 LMNA 4875/4885TRPA1 2800/4885PTGS1 1791/4885
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof HDAC6, HDAC9, HDAC7 LMNA 1956/4885TRPA1 1273/4885PTGS1 3743/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 LMNA 2312/4885TRPA1 345/4885PTGS1 1143/4885
US-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A LMNA 2921/4885TRPA1 9/4885PTGS1 282/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS LMNA 4027/4885TRPA1 4696/4885PTGS1 3817/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 LMNA 3442/4885TRPA1 3/4885PTGS1 249/4885
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors IRAK2, IRAK3, IRAK1 LMNA 1914/4885TRPA1 3460/4885PTGS1 1906/4885
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS LMNA 2727/4885TRPA1 4584/4885PTGS1 2571/4885
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 LMNA 4844/4885TRPA1 2731/4885PTGS1 2696/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 LMNA 1927/4885TRPA1 4031/4885PTGS1 1233/4885
US-20080214815-A1 Process for preparing phenoxypyridine derivatives FIP1L1, SKP1, TET2 LMNA 2055/4885TRPA1 3248/4885PTGS1 2228/4885

“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.