SCHEMBL5989968

SCHEMBL5989968

C=C(C)COCCOCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
CES2 O00748 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
RARB P10826 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
HPGD P15428 2/20 0.33

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
SCHEMBL6408574 0.95
SCHEMBL1633705 0.88 CES2 (0.59) TSHRCES2MEN1KMT2ATHRB
SCHEMBL30054587 0.88 CES2 (0.37) TSHRCES2MEN1KMT2ATHRB
SCHEMBL1636629 0.86 CES2 (0.63) TSHRCES2MEN1KMT2ATHRB
SCHEMBL14939700 0.86 CES2 (0.63) TSHRCES2MEN1KMT2ATHRB
SCHEMBL25424773 0.86 CES2 (0.63) TSHRCES2MEN1KMT2ATHRB
SCHEMBL16107083 0.86 CES2 (0.63) TSHRCES2MEN1KMT2ATHRB
SCHEMBL1635179 0.86 CES2 (0.63) TSHRCES2MEN1KMT2ATHRB
SCHEMBL1633949 0.86 CES2 (0.63) TSHRCES2MEN1KMT2ATHRB
SCHEMBL11243551 0.85 CES2 (0.38) TSHRCES2MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015363-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-03-21 US disclosed
US-20040181097-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2004-09-16 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 (1 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-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 TSHR 4266/4885CES2 95/4885MEN1 4199/4885

“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.