SCHEMBL4954690

SCHEMBL4954690

C=CC(CCC(C)C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
ALPL P05186 1/20 0.31
ABCB1 P08183 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
SCHEMBL27163633 0.82 TAS1R3 (0.42) TSHRMEN1KMT2ATAS1R3TAS1R1
SCHEMBL15111650 0.82 CA1 (0.42) TSHRTDP1MEN1KMT2ATAS1R3
SCHEMBL15111700 0.78 CA2 (0.53) TSHRTDP1TAS1R3TAS1R1CA1
SCHEMBL3274327 0.77 ZDHHC7 (0.53) TSHRCA1CA2ZDHHC7ABCB1
SCHEMBL7634809 0.77 GAA (0.36) TDP1SMN1; SMN2CA1CA2CA14
SCHEMBL22986071 0.77 CHRM2 (0.34) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL13955398 0.77 CYP2C9 (0.40) TSHRKMT2ATAS1R3TAS1R1
SCHEMBL6272993 0.77
SCHEMBL13895351 0.77
SCHEMBL8011909 0.77 SLC1A3 (0.39) TSHRTDP1MEN1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 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-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES DSC1, DSG1, PIEZO1 TSHR 4659/4885TDP1 984/4885MEN1 2055/4885

“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.