SCHEMBL46780

SCHEMBL46780

CC(C)(C)OC(=O)C(C)(C)OCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
LMNA P02545 3/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
SLC15A2 Q16348 1/20 0.30

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
SCHEMBL242553 0.78 LMNA (0.40) ALDH1A1L3MBTL1FFAR3HDAC3HDAC1
SCHEMBL25855715 0.77 DGAT1 (0.32) DGAT1CYP4F2CYP4A11
SCHEMBL46332 0.76 CYP4F2 (0.53) DGAT1CYP4F2CYP4A11
SCHEMBL17486950 0.74 DGAT1 (0.43) DGAT1CYP4F2CYP4A11ALDH1A1HDAC1
SCHEMBL23309276 0.73 CYP4F2 (0.58) DGAT1CYP4F2CYP4A11HDAC1HDAC2
SCHEMBL28964604 0.73 CYP4F2 (0.58) DGAT1CYP4F2CYP4A11HDAC1HDAC2
SCHEMBL22098411 0.73 CYP4F2 (0.58) DGAT1CYP4F2CYP4A11HDAC1HDAC2
SCHEMBL19889524 0.73 CYP4F2 (0.46) DGAT1CYP4F2CYP4A11ALDH1A1
SCHEMBL16144184 0.72 HMGCR (0.40) ALDH1A1L3MBTL1FFAR3HDAC3HDAC1
SCHEMBL18890365 0.71 HDAC6 (0.37) DGAT1ALDH1A1L3MBTL1FFAR3HDAC3

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002285-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-08-29 EP disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9974777-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9862721-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-01-09 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-9636330-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-02 US disclosed
US-9636330-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-02 US disclosed
US-9006246-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-14 US disclosed
EP-2687531-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
EP-2687531-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20130345426-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-26 US disclosed
EP-2592081-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2013-05-15 EP disclosed
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-02 US disclosed
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-02 US disclosed
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-02 US disclosed
WO-2012127885-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-09-27 WO disclosed
WO-2012005227-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-01-12 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 (3 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-20130345426-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 DGAT1 583/4885CYP4F2 754/4885CYP4A11 906/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 DGAT1 581/4885CYP4F2 698/4885CYP4A11 798/4885
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 DGAT1 583/4885CYP4F2 754/4885CYP4A11 906/4885

“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.