SCHEMBL10064065

SCHEMBL10064065

CC(=O)CC(=O)O[C@@H]1C[C@H](C)CCC1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
EPHX1 P07099 3/20 0.57
ALDH1A1 P00352 8/20 0.51
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL119559 1.00 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL12994248 1.00 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL15914460 1.00 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL18832114 1.00 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL5010580 0.92 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL5010581 0.88 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL19900145 0.87 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL13953844 0.87 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL25982610 0.87 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL1248258 0.87 CYP19A1 (0.56) CYP19A1EPHX1ALDH1A1TSHRMAPT

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-20210100242-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS BEDOUKIAN RESEARCH, INC. (US) 2021-04-08 US disclosed
EP-2423291-A1 1-MENTHYL (3R)-3-HYDROXYBUTANOATE, PROCESS FOR PRODUCING SAME, AND COMPOSITION CONTAINING SAME FOR STIMULATING SENSE Takasago International Corporation (JP) 2012-02-29 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 (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-20210100242-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS ACHE, NISCH, DDT CYP19A1 1381/4885EPHX1 1147/4885ALDH1A1 2729/4885

“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.