SCHEMBL17834047

SCHEMBL17834047

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA4 P22748 4/20 0.54
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 11/20 0.39
PTGS2 P35354 10/20 0.39
MT-CO1 P00395 1/20 0.39
MT-CO2 P00403 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CA6 P23280 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
SCHEMBL17834073 1.00 CA1 (0.54) CA1CA2CA4MEN1ALDH1A1
SCHEMBL14706787 1.00 CA1 (0.54) CA1CA2CA4MEN1ALDH1A1
SCHEMBL16202805 1.00 CA1 (0.54) CA1CA2CA4MEN1ALDH1A1
SCHEMBL2019329 1.00 CA1 (0.54) CA1CA2CA4MEN1ALDH1A1
SCHEMBL17834048 1.00 CA1 (0.54) CA1CA2CA4MEN1ALDH1A1
SCHEMBL14706769 1.00 CA1 (0.54) CA1CA2CA4MEN1ALDH1A1
SCHEMBL4839886 0.98 CA1 (0.52) CA1CA2CA4MEN1ALDH1A1
SCHEMBL4847081 0.98 CA1 (0.52) CA1CA2CA4MEN1ALDH1A1
SCHEMBL4839021 0.95 CA1 (0.48) CA1CA2CA4MEN1ALDH1A1
SCHEMBL20668122 0.84 CA1 (0.39) CA1CA2CA4MEN1ALDH1A1

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-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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 (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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 CA1 2719/4885CA2 1934/4885CA4 3899/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 CA1 2981/4885CA2 2126/4885CA4 4152/4885

“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.