SCHEMBL19259400

SCHEMBL19259400

CC[C@H]1CCC[C@@H](C)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL2310745 1.00 CA1 (0.39) CA1CA2CA4MGAMGAA
SCHEMBL2310756 0.85 CA1 (0.42) CA1CA2CA4MGAMGAA
SCHEMBL12166556 0.82 CA1 (0.54) CA1CA2CA4
SCHEMBL3480382 0.81 GBA1 (0.39) CA1CA2CA4GAASI
SCHEMBL597926 0.79
SCHEMBL597925 0.79
SCHEMBL598873 0.79
SCHEMBL598874 0.79
SCHEMBL597924 0.79
SCHEMBL10708529 0.79 CA1 (0.41) CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10343971-B2 Crotonates having use in perfumery GIVAUDAN SA (CH) 2019-07-09 US disclosed
US-20190023643-A1 Organic Compounds GIVAUDAN SA (CH) 2019-01-24 US disclosed
EP-3416943-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2018-12-26 EP disclosed
WO-2017140733-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-24 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 (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-10343971-B2 Crotonates having use in perfumery CROCC, PAX3, H1-3 CA1 2007/4885CA2 1178/4885CA4 540/4885
US-20190023643-A1 Organic Compounds OR10J3, H1-4, H1-0 CA1 3723/4885CA2 3581/4885CA4 1847/4885

“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.