SCHEMBL17138208

SCHEMBL17138208

C=CCCCCCOc1cccc(OCCCCCC=C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.46
TSHR P16473 1/20 0.46
KCNA3 P22001 1/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PLA2G4B P0C869 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL17138168 0.98 KCNA3 (0.46) PRSS1TSHRKCNA3ALDH1A1L3MBTL1
SCHEMBL17138189 0.92 ALDH1A1 (0.51) PRSS1TSHRKCNA3ALDH1A1L3MBTL1
SCHEMBL146567 0.90 MAPK1 (0.53) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16581598 0.88 ALDH1A1 (0.46) TSHRKCNA3ALDH1A1L3MBTL1TDP1
SCHEMBL16581610 0.88 ALDH1A1 (0.46) TSHRKCNA3ALDH1A1L3MBTL1TDP1
SCHEMBL11419102 0.87 MEN1 (0.42) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9684375 0.86 KCNA3 (0.64) KCNA3ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL5053411 0.86 KCNA3 (0.64) KCNA3ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL18936005 0.86 KCNA3 (0.64) KCNA3ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL31281844 0.86 KCNA3 (0.64) KCNA3ALDH1A1L3MBTL1KDM4EMEN1

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 PRSS1 3920/4885TSHR 4026/4885KCNA3 819/4885

“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.