SCHEMBL5820006

SCHEMBL5820006

CCC(O)OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
SHBG P04278 1/20 0.36
EPHX1 P07099 1/20 0.35
NAAA Q02083 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 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
SCHEMBL10680048 0.98 TSHR (0.40) TSHRSHBGEPHX1NAAAKDM4E
SCHEMBL10684687 0.90 TSHR (0.46) TSHRSHBG
SCHEMBL10683117 0.80 NAAA (0.37) SHBGEPHX1NAAAKDM4E
SCHEMBL12711502 0.80 TSHR (0.33) TSHR
SCHEMBL5859489 0.78 PDE4D (0.34) TSHR
SCHEMBL9185507 0.77 NAAA (0.42) EPHX1NAAAALDH1A1
SCHEMBL529784 0.76 KDM4E (0.37) EPHX1KDM4E
SCHEMBL21250764 0.76 NAAA (0.45) NAAAALDH1A1
SCHEMBL21586586 0.74 TP53 (0.46) EPHX1KDM4EALDH1A1
SCHEMBL19366102 0.74 TP53 (0.46) EPHX1KDM4EALDH1A1

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-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
WO-2006084208-A2 USE OF WATER STRUCTURANTS TO PROVIDE FABRIC CARE BENEFITS IN A NON-AQUEOUS FABRIC TREATMENT SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2006-08-10 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 (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-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates MCL1, BCL2A1, BAK1 TSHR 2499/4885SHBG 3772/4885EPHX1 3053/4885

“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.