SCHEMBL4284013

SCHEMBL4284013

COC(=O)Cc1ccccc1OCCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
POLB P06746 1/20 0.46
PPARD Q03181 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
IDO1 P14902 1/20 0.43
HPGD P15428 1/20 0.43
EPHX2 P34913 1/20 0.42
TBXAS1 P24557 1/20 0.42
PPARG P37231 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4290327 0.88 HTT (0.55) HTTPOLBPPARDKDM4EALDH1A1
SCHEMBL4280428 0.85 ADRB2 (0.49) HTTPPARDKDM4ESMN1; SMN2L3MBTL1
SCHEMBL24977620 0.83 PPARD (0.49) PPARDKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL4277095 0.83 PPARD (0.56) HTTPPARDALDH1A1MAPTL3MBTL1
SCHEMBL10537253 0.82 PPARD (0.61) HTTPOLBPPARDKDM4EALDH1A1
SCHEMBL6697391 0.81 PPARD (0.50) PPARDKDM4EMAPTL3MBTL1TSHR
SCHEMBL30104114 0.80 TSHR (0.58) PPARDKDM4EALDH1A1HSD17B10TP53
SCHEMBL7847681 0.80 TSHR (0.58) PPARDKDM4EALDH1A1HSD17B10TP53
SCHEMBL9798378 0.79 PPARD (0.59) PPARDKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL11732623 0.79 PPARG (0.56) PPARDMAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
CN-101284865-A Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2008-10-15 CN disclosed
CN-100378063-C Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2008-04-02 CN disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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 (1 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 HTT 2656/4885POLB 3642/4885PPARD 2664/4885

“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.