SCHEMBL46332

SCHEMBL46332

CC(C)(C)OC(=O)C(C)(C)OCCCO

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.53
CYP4A11 Q02928 4/20 0.53
TDP1 Q9NUW8 1/20 0.42
DGAT1 O75907 1/20 0.38
PPARA Q07869 1/20 0.30
FAAH O00519 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
SCHEMBL22098411 0.92 CYP4F2 (0.58) CYP4F2CYP4A11TDP1DGAT1
SCHEMBL23309276 0.92 CYP4F2 (0.58) CYP4F2CYP4A11TDP1DGAT1
SCHEMBL28964604 0.92 CYP4F2 (0.58) CYP4F2CYP4A11TDP1DGAT1
SCHEMBL20254061 0.82 CYP4A11 (0.54) CYP4F2CYP4A11TDP1DGAT1PPARA
SCHEMBL19889524 0.81 CYP4F2 (0.46) CYP4F2CYP4A11TDP1DGAT1
SCHEMBL28695124 0.77 CYP4F2 (0.49) CYP4F2CYP4A11TDP1PPARA
SCHEMBL18030568 0.77 CYP4F2 (0.49) CYP4F2CYP4A11TDP1PPARA
SCHEMBL46780 0.76 DGAT1 (0.38) CYP4F2CYP4A11DGAT1
SCHEMBL23970496 0.75 CYP4F2 (0.39) CYP4F2CYP4A11DGAT1
SCHEMBL15026699 0.74 TDP1 (0.41) CYP4F2CYP4A11TDP1DGAT1

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 37 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-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-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
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
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 CYP4F2 754/4885CYP4A11 906/4885TDP1 2307/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 CYP4F2 698/4885CYP4A11 798/4885TDP1 2290/4885
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 CYP4F2 754/4885CYP4A11 906/4885TDP1 2307/4885

“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.