SCHEMBL2966979

SCHEMBL2966979

C=CCn1c(C)c(C(=O)c2ccc(C)cc2)c2cc(C(=O)c3ccc(C)cc3)c(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 2/20 0.38
CNR2 P34972 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CNR1 P21554 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2983621 0.83 CNR1 (0.48) TP53MAPTCNR2ALDH1A1CYP1A2
SCHEMBL2969551 0.82 KDM4E (0.54) TP53MAPTALDH1A1CNR1NPC1
SCHEMBL2978448 0.81 MAPT (0.53) TP53MAPTNPSR1RXFP1CNR2
SCHEMBL2982058 0.80 PLA2G2A (0.47) TP53MAPTRXFP1ALDH1A1RECQL
SCHEMBL2972386 0.78 NPC1 (0.54) TP53MAPTHTTNPSR1RXFP1
SCHEMBL2982065 0.77 MAPT (0.44) MAPTRXFP1ALDH1A1NPC1RAB9A
SCHEMBL2981190 0.77 PPARG (0.38) ALDH1A1MEN1KMT2A
SCHEMBL13078121 0.76 SMN1; SMN2 (0.42) TP53MAPTHTTNPSR1ALDH1A1
SCHEMBL2977504 0.74 PPARG (0.45) TP53MAPTCYP1A2
SCHEMBL2978703 0.73 PPARG (0.52) CYP1A2

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-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 TP53 4037/4885MAPT 4724/4885HTT 2967/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 TP53 4340/4885MAPT 4727/4885HTT 3470/4885

“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.