SCHEMBL1648346

SCHEMBL1648346

CC(C)c1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
FOLH1 Q04609 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLRA1 P23415 1/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL382849 0.88 FOLH1 (0.62) ALDH1A1FOLH1TDP1L3MBTL1POLB
SCHEMBL1633961 0.85 CA1 (0.45) HTTALDH1A1POLBKMT2AMRGPRX4
SCHEMBL1646770 0.82 LRRK2 (0.56) HTTALDH1A1FOLH1TDP1L3MBTL1
SCHEMBL31363066 0.82 GLRA1 (0.49) HTTALDH1A1TDP1L3MBTL1POLB
SCHEMBL23809724 0.81 ALDH1A1 (0.62) HTTALDH1A1FOLH1TDP1L3MBTL1
SCHEMBL30506704 0.81 TDP1 (0.61) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL149243 0.81 TDP1 (0.61) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL1647432 0.81 TDP1 (0.58) HTTALDH1A1FOLH1TDP1L3MBTL1
SCHEMBL27820730 0.81 F2 (0.53) HTTALDH1A1FOLH1L3MBTL1POLB
SCHEMBL1644845 0.81 KDM4E (0.54) HTTALDH1A1TDP1L3MBTL1POLB

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
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 HTT 110/4885ALDH1A1 4183/4885FOLH1 4250/4885

“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.