SCHEMBL3687804

SCHEMBL3687804

COCCOCC(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
ACLY P53396 1/20 0.32
TSHR P16473 4/20 0.32
PPARA Q07869 4/20 0.32
THRB P10828 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CA2 P00918 1/20 0.31
CNR2 P34972 1/20 0.30
TTR P02766 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C8 P10632 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
SCHEMBL15012335 0.98 CYP2C9 (0.35) CYP2C9ALDH1A1CYP4F2CYP4A11ARG1
SCHEMBL16862076 0.98 CYP2C9 (0.35) CYP2C9ALDH1A1CYP4F2CYP4A11ARG1
SCHEMBL16171396 0.82 TSHR (0.32) ALDH1A1TSHRTHRBCA2CNR2
SCHEMBL1158850 0.80
SCHEMBL15012611 0.80 MEN1 (0.48) CYP2C9ALDH1A1CYP4F2CYP4A11ACLY
SCHEMBL2183590 0.80 DGAT1 (0.35) ALDH1A1TSHRTHRBCNR2PRSS1
SCHEMBL16171407 0.80 CA2 (0.33) ALDH1A1TSHRTHRBCA2
SCHEMBL8052693 0.80 CYP2C9 (0.42) CYP2C9ALDH1A1CYP4F2CYP4A11ACLY
SCHEMBL2597342 0.79 CYP2C9 (0.37) CYP2C9ALDH1A1ACLYTSHRACACB
SCHEMBL3687624 0.79 CYP2C9 (0.37) CYP2C9ALDH1A1CYP4F2CYP4A11ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105705508-B Acyclonucleosides phosphoric acid ester derivant and preparation method thereof and application medically 四川海思科制药有限公司 2017-09-01 CN disclosed
CN-105705508-A Acyclic nucleoside phosphonate derivative and preparation method and use thereof in medical science 四川海思科制药有限公司 2016-06-22 CN disclosed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 US disclosed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 US disclosed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 US disclosed
WO-2015096697-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF IN MEDICAL SCIENCE 四川海思科制药有限公司 2015-07-02 WO disclosed
WO-2015096697-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF IN MEDICAL SCIENCE 四川海思科制药有限公司 2015-07-02 WO disclosed
US-7825134-B2 Amelioration of cataracts, macular degeneration and other ophthalmic diseases OTHERA HOLDING, INC. (US) 2010-11-02 US disclosed
US-7825134-B2 Amelioration of cataracts, macular degeneration and other ophthalmic diseases OTHERA HOLDING, INC. (US) 2010-11-02 US disclosed
US-7825134-B2 Amelioration of cataracts, macular degeneration and other ophthalmic diseases OTHERA HOLDING, INC. (US) 2010-11-02 US disclosed
US-20080274983-A1 Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases OTHERA HOLDING, INC. (US) 2008-11-06 US disclosed
US-20080274983-A1 Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases OTHERA HOLDING, INC. (US) 2008-11-06 US disclosed
US-20080274983-A1 Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases OTHERA HOLDING, INC. (US) 2008-11-06 US disclosed
US-7442711-B2 Amelioration of the development of cataracts and other ophthalmic diseases OTHERA HOLDING, INC. (US) 2008-10-28 US disclosed
US-7442711-B2 Amelioration of the development of cataracts and other ophthalmic diseases OTHERA HOLDING, INC. (US) 2008-10-28 US disclosed
US-7442711-B2 Amelioration of the development of cataracts and other ophthalmic diseases OTHERA HOLDING, INC. (US) 2008-10-28 US disclosed
US-20050131025-A1 Amelioration of cataracts, macular degeneration and other ophthalmic diseases COLBY PHARMACEUTICAL COMPANY 2005-06-16 US 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-20080274983-A1 Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases C3AR1, C1R, AKR1C3 CYP2C9 1154/4885ALDH1A1 756/4885CYP4F2 1332/4885
US-20050131025-A1 Amelioration of cataracts, macular degeneration and other ophthalmic diseases C1R, CRYAB, C9 CYP2C9 2207/4885ALDH1A1 1080/4885CYP4F2 2422/4885
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR CYP2C9 1801/4885ALDH1A1 2720/4885CYP4F2 897/4885

“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.