SCHEMBL1618864

SCHEMBL1618864

C=C(O)C=CCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
PPARA Q07869 5/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
PTPN1 P18031 4/20 0.47
TERT O14746 3/20 0.47
PPARD Q03181 3/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL1618861 1.00 PPARG (0.48) PPARGPPARATSHRKMT2AMEN1
SCHEMBL5906857 0.98 TSHR (0.52) PPARGPPARATSHRKMT2AMEN1
SCHEMBL8342140 0.93
SCHEMBL6874554 0.93
SCHEMBL29410306 0.82
SCHEMBL13667129 0.82
SCHEMBL25237616 0.81 FASN (0.55) TSHRKMT2AMEN1CYP3A4MAPT
SCHEMBL11861305 0.81 KMT2A (0.52) PPARGPPARATSHRKMT2AMEN1
SCHEMBL11421199 0.81 TSHR (0.54) PPARGPPARATSHRKMT2AMEN1
SCHEMBL11861309 0.81 KMT2A (0.52) PPARGPPARATSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105636453-B Substance mixture 西姆莱斯股份公司 2019-12-24 CN disclosed
US-7927643-B2 Compositions of oxo-terpene derivatives and process for preparing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-19 US disclosed
US-7923049-B2 Compositions of oxo-terpene derivatives and process for preparing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-12 US disclosed
US-20090180972-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-07-16 US disclosed
US-20090180973-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-07-16 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 (2 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-20090180973-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME OXER1, ALKBH3, ALKBH1 PPARG 1187/4885PPARA 1169/4885TSHR 3402/4885
US-20090180972-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME OXER1, ALKBH3, ALKBH1 PPARG 1187/4885PPARA 1169/4885TSHR 3402/4885

“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.