SCHEMBL46318

SCHEMBL46318

CC(C)(C)OC(=O)C1(CCCC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
CAMK2A Q9UQM7 1/20 0.34
TSHR P16473 5/20 0.33
LMNA P02545 2/20 0.33
SLC22A6 Q4U2R8 2/20 0.33
P4HB P07237 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
FFAR4 Q5NUL3 3/20 0.32
ALDH1A1 P00352 3/20 0.32
FFAR1 O14842 2/20 0.32
AKR1B1 P15121 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
HDAC11 Q96DB2 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
SLC22A8 Q8TCC7 1/20 0.31

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
SCHEMBL22070514 0.93 CYP4F2 (0.44) CYP4F2CYP4A11TSHRLMNASLC22A6
SCHEMBL798227 0.85 CYP4F2 (0.60) CYP4F2CYP4A11P4HBTDP1
SCHEMBL797984 0.85 CYP4F2 (0.60) CYP4F2CYP4A11P4HBTDP1
SCHEMBL798199 0.85 CYP4F2 (0.60) CYP4F2CYP4A11P4HBTDP1
SCHEMBL798441 0.85 CYP4F2 (0.60) CYP4F2CYP4A11P4HBTDP1
SCHEMBL23272083 0.83 CYP4F2 (0.39) CYP4F2CYP4A11P4HB
SCHEMBL187214 0.83 CYP4F2 (0.51) CYP4F2CYP4A11P4HBTDP1
SCHEMBL22098195 0.82 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL14892163 0.82 CYP4F2 (0.65) CYP4F2CYP4A11P4HBTDP1
SCHEMBL187126 0.81 CYP4F2 (0.53) CYP4F2CYP4A11P4HBTDP1KMT2A

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 25 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-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-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
EP-2687531-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2016-07-13 EP disclosed
US-9353113-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-31 US disclosed
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-20 US disclosed
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-20 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
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
CN-102971318-A Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO 2013-03-13 CN 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 (4 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 906/4885CAMK2A 1779/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 CYP4F2 698/4885CYP4A11 798/4885CAMK2A 1796/4885
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 CYP4F2 754/4885CYP4A11 906/4885CAMK2A 1779/4885
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 CYP4F2 754/4885CYP4A11 906/4885CAMK2A 1779/4885

“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.