SCHEMBL2401513

SCHEMBL2401513

COC(=O)CCC=CCCC(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
AKT1 P31749 1/20 0.53
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
EPHX2 P34913 1/20 0.46
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.41
OXER1 Q8TDS5 1/20 0.41
RECQL P46063 1/20 0.39

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
SCHEMBL2401509 1.00 TSHR (0.63) TSHRAKT1LMNAALDH1A1KMT2A
SCHEMBL9188658 1.00 TSHR (0.63) TSHRAKT1LMNAALDH1A1KMT2A
SCHEMBL11332980 0.93 TSHR (0.56) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL9449027 0.91 TSHR (0.52) TSHRAKT1LMNAALDH1A1KMT2A
SCHEMBL6220022 0.91 TSHR (0.52) TSHRAKT1LMNAALDH1A1KMT2A
SCHEMBL23706440 0.91 TSHR (0.52) TSHRAKT1LMNAALDH1A1KMT2A
SCHEMBL3084656 0.91 TSHR (0.52) TSHRAKT1LMNAALDH1A1KMT2A
SCHEMBL3506096 0.91 TSHR (0.52) TSHRAKT1LMNAALDH1A1KMT2A
SCHEMBL21594794 0.91 TSHR (0.52) TSHRAKT1LMNAALDH1A1KMT2A
SCHEMBL11526688 0.91 TSHR (0.52) TSHRAKT1LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552102-A Synthesis method of dialkyl selenoether compound 西安交通大学 2025-03-04 CN disclosed
US-9676676-B2 Selective olefin metathesis with cyclometalated ruthenium complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-06-13 US disclosed
US-20160185684-A1 SELECTIVE OLEFIN METATHESIS WITH CYCLOMETALATED RUTHENIUM COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 US disclosed
WO-2011110349-A2 PROCESS FOR THE PREPARATION OF DICARBOXYLIC ACIDS OR DICARBOXYLIC ACID ESTERS BY METATHESIS EMERY OLEOCHEMICALS GMBH (DE) 2011-09-15 WO disclosed
US-6828464-B2 Preparation of cyclopentenones BASF AKTIENGESELLSCHAFT (DE) 2004-12-07 US disclosed
US-20040102655-A1 Preparation of cyclopentenoes BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
EP-0440251-B1 Process for preparing optically active cyclopentenones SUMITOMO CHEMICAL CO (JP) 1995-09-06 EP disclosed
US-5191109-A Process for preparing optically active cyclopentenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-02 US disclosed
EP-0440251-A2 Process for preparing optically active cyclopentenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-07 EP 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-20040102655-A1 Preparation of cyclopentenoes CYP17A1, CYP2F1, CYP2S1 TSHR 3431/4885AKT1 2899/4885LMNA 3150/4885
US-20160185684-A1 SELECTIVE OLEFIN METATHESIS WITH CYCLOMETALATED RUTHENIUM COMPLEXES ZDHHC7, COASY, ZDHHC2 TSHR 4341/4885AKT1 522/4885LMNA 4775/4885

“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.