SCHEMBL3138729

SCHEMBL3138729

COc1ccc(CN2CCCN(c3ccc(Oc4ccc(C#Cc5ccc(C(F)(F)F)cc5)cn4)c(C)c3)C2=O)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.39
HTR2C P28335 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
HDAC1 Q13547 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
TAS2R8 Q9NYW2 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
NTRK2 Q16620 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3138736 0.86 MCHR1 (0.39) MCHR1HTR2CHTR2AHTR2BPPARD
SCHEMBL8919642 0.85 HDAC1 (0.43) MCHR1HTR2CHTR2AHTR2BHDAC1
SCHEMBL3142846 0.83 SMN1; SMN2 (0.38) MCHR1HTR2CHTR2AHTR2BTAS2R8
SCHEMBL8914441 0.80 LMNA (0.36) HTR2CHTR2AHTR2BTAS2R8NTRK1
Bromide SCHEMBL3147496 0.78 LMNA (0.39) MCHR1PPARDPPARAPPARGHDAC1
SCHEMBL3138424 0.78 LMNA (0.38) MCHR1PPARDPPARAPPARGHDAC1
SCHEMBL3138416 0.78 LMNA (0.38) MCHR1PPARDPPARAPPARGHDAC1
Bromide SCHEMBL3142384 0.77 HDAC1 (0.38) MCHR1PPARDPPARAPPARGHDAC1
SCHEMBL8919564 0.75 HDAC1 (0.41) MCHR1HTR2CHTR2AHTR2BHDAC1
SCHEMBL8914383 0.74 ALDH1A1 (0.39) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MCHR1 221/4885HTR2C 895/4885HTR2A 1799/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MCHR1 1920/4885HTR2C 4372/4885HTR2A 4500/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MCHR1 427/4885HTR2C 835/4885HTR2A 1033/4885

“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.