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
SCHEMBL13272535 0.80 KDM4E (0.60) TSHRKDM4EMAPK1L3MBTL1TDP1
SCHEMBL9152074 0.80 MAOB (0.42) TSHRKDM4EMAPK1L3MBTL1TDP1
SCHEMBL12879358 0.80 SMN1; SMN2 (0.51) 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.

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