SCHEMBL17138131

SCHEMBL17138131

CCC(C)CCOc1cccc(OCCC(C)CC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.43
CYP2D6 P10635 1/20 0.42
GALR3 O60755 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NSD2 O96028 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL16669475 0.90 KDM4E (0.48) TSHRKDM4EMAPK1L3MBTL1TDP1
SCHEMBL24398902 0.87 LTA4H (0.49)
SCHEMBL11583149 0.86 KCNA3 (0.52) MAPK1TDP1ALDH1A1RECQL
SCHEMBL6281447 0.84 TLR4 (0.41) TSHRKDM4EMAPK1L3MBTL1TDP1
1,3-Diisopentoxybenzene SCHEMBL2846359 0.82 TDP1 (0.57) TSHRKDM4EMAPK1L3MBTL1TDP1
SCHEMBL201933 0.82 PARP1 (0.53) KMT2A
SCHEMBL17138170 0.80 GPBAR1 (0.60) TSHRKDM4EMAPK1GPBAR1CYP3A4
SCHEMBL12879358 0.80 SMN1; SMN2 (0.51) TSHRKDM4EMAPK1L3MBTL1TDP1
SCHEMBL9152074 0.80 MAOB (0.42) TSHRKDM4EMAPK1L3MBTL1TDP1
SCHEMBL13272535 0.80 KDM4E (0.60) TSHRKDM4EMAPK1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 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 (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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 TSHR 4026/4885KDM4E 494/4885MAPK1 1198/4885

“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.