SCHEMBL3099362

SCHEMBL3099362

CC(C)(C)P(c1ccccc1C1CCCCC1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
ADRA2A P08913 2/20 0.36
HTR1A P08908 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 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
SCHEMBL10700904 0.79 PTGDR2 (0.41) PTGS2PTGDR2ADRA2AHTR1DHTR1B
SCHEMBL42781 0.73 PTGDR2 (0.48) PTGS2PTGDR2ADRA2AHTR1DHTR1B
SCHEMBL16335849 0.72 HTR2C (0.44) PTGS2PTGDR2ADRA2AHTR1AUSP2
SCHEMBL2364217 0.71 BCHE (0.30) BCHEACHE
SCHEMBL30480018 0.71 MAPK1 (0.32) ALDH1A1ACHE
SCHEMBL779938 0.71 CHRNB4 (0.46) PTGS2PTGDR2HTR1AHTR1DHTR1B
SCHEMBL1315082 0.71 MAPK1 (0.32) ALDH1A1ACHE
SCHEMBL31321456 0.70 CYP3A4 (0.41) PTGS2PTGDR2DRD1HTR1DHTR1B
Bromide SCHEMBL31016464 0.70 PTGDR2 (0.39) PTGS2PTGDR2DRD1MEN1KMT2A
Hydrogen Peroxide SCHEMBL3679819 0.69 PTGDR2 (0.55) PTGS2PTGDR2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864714-B1 Process for producing arylamine TOSOH CORP (JP) 2016-11-23 EP disclosed
US-7803953-B2 Catalyst for producing arylamine and process for producing arylamine by means thereof TOSOH CORPORATION (JP) 2010-09-28 US disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
EP-1864714-A1 Catalyst for producing arylamine and process for producing arylamine by means thereof Tosoh Corporation (JP) 2007-12-12 EP disclosed
US-20070282111-A1 Catalyst for producing arylamine and process for producing arylamine by means thereof TOSOH CORPORATION (JP) 2007-12-06 US disclosed
US-7247731-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-24 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 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 (2 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-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 PTGS2 1882/4885PTGDR2 4500/4885ADRA2A 4531/4885
US-20070282111-A1 Catalyst for producing arylamine and process for producing arylamine by means thereof TYR, PNMT, INMT PTGS2 3413/4885PTGDR2 2317/4885ADRA2A 579/4885

“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.