SCHEMBL2718697

SCHEMBL2718697

C=CCn1nccc1C(=O)c1ccc(CCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.49
THRA P10827 5/20 0.40
PLK1 P53350 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL6420147 0.83 HTT (0.43) HTTALDH1A1NPC1MAPTRAB9A
SCHEMBL2969264 0.73 THRB (0.48) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL9861628 0.71 PLK1 (0.64) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL4904680 0.67 THRB (1.00) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL2717815 0.66 ALDH1A1 (0.50) PLK1HTTALDH1A1KMT2AMEN1
SCHEMBL1483217 0.66 KMT2A (0.64) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL7218288 0.65 THRB (0.85) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL4605419 0.65 L3MBTL1 (0.58) THRBPLK1HTTALDH1A1KMT2A
Benzophenone SCHEMBL28417175 0.65 L3MBTL1 (0.58) THRBPLK1HTTALDH1A1KMT2A
SCHEMBL27449104 0.65 ALDH1A1 (0.64) THRBPLK1HTTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 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 (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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 THRB 660/4885THRA 696/4885PLK1 4107/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 THRB 660/4885THRA 696/4885PLK1 4107/4885

“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.