SCHEMBL14317554

SCHEMBL14317554

CC1(C)OCC(COCC(O)COCC(O)COCc2ccccc2)O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11932962 1.00 CA1 (0.45) CA1CA2CA7CA9TMEM97
SCHEMBL565818 0.86 TMEM97 (0.48) CA2TMEM97SIGMAR1TSHR
SCHEMBL2182755 0.86 TMEM97 (0.48) CA2TMEM97SIGMAR1TSHR
SCHEMBL5606199 0.86 TMEM97 (0.48) CA2TMEM97SIGMAR1TSHR
SCHEMBL29342924 0.85 TMEM97 (0.40) CA1CA2CA7CA9TMEM97
SCHEMBL29342981 0.83 TMEM97 (0.39) CA1CA2CA7CA9TMEM97
SCHEMBL10905872 0.83 CA2 (0.49) CA2TMEM97SIGMAR1MAPK1TSHR
SCHEMBL9170923 0.83 TMEM97 (0.41) TMEM97SIGMAR1TSHRKDM4EMEN1
SCHEMBL29342889 0.82 TMEM97 (0.35) CA1CA2CA7CA9TMEM97
SCHEMBL3508958 0.82 TMEM97 (0.45) CA2TMEM97SIGMAR1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2720999-B1 NOVEL LIPIDOMIMETIC COMPOUNDS AND USES THEREOF KONINKLIJKE PHILIPS NV (NL) 2017-08-23 EP disclosed
US-9061062-B2 Lipidomimetic compounds and uses thereof KONINKLIJKE PHILIPS N.V. (NL) 2015-06-23 US disclosed
US-9061062-B2 Lipidomimetic compounds and uses thereof KONINKLIJKE PHILIPS N.V. (NL) 2015-06-23 US disclosed
US-20140127135-A1 NOVEL LIPIDOMIMETIC COMPOUNDS AND USES THEREOF KONINKLIJKE PHILIPS N.V. (NL) 2014-05-08 US disclosed
US-20140127135-A1 NOVEL LIPIDOMIMETIC COMPOUNDS AND USES THEREOF KONINKLIJKE PHILIPS N.V. (NL) 2014-05-08 US disclosed
WO-2012172457-A1 NOVEL LIPIDOMIMETIC COMPOUNDS AND USES THEREOF KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-12-20 WO disclosed
EP-2535326-A1 Novel lipidomimetic compounds and uses thereof Koninklijke Philips Electronics N.V. (NL) 2012-12-19 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-20140127135-A1 NOVEL LIPIDOMIMETIC COMPOUNDS AND USES THEREOF SGMS1, SGMS2, LIPA CA1 1522/4885CA2 978/4885CA7 1446/4885

“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.