SCHEMBL21840899

SCHEMBL21840899

CC1CCC(OC(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CHRNA7 P36544 2/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ CHRM2 P08172 2/20 0.42
▸ CHRM4 P08173 2/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ CHRM3 P20309 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SCN1A P35498 1/20 0.40

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
SCHEMBL19014758 0.81 LMNA (0.48) TRPM8LMNAALDH1A1MEN1KMT2A
SCHEMBL19014677 0.81 LMNA (0.48) TRPM8LMNAALDH1A1MEN1KMT2A
SCHEMBL19014832 0.81 LMNA (0.48) TRPM8LMNAALDH1A1MEN1KMT2A
SCHEMBL12559956 0.81 CA12 (0.46) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL20306561 0.78 TAS1R3 (0.36) TRPM8LMNAGAACHRM3
SCHEMBL12159639 0.78 BCHE (0.39) ALDH1A1GAACHRM1
SCHEMBL2191290 0.77 NOTUM (0.39) TRPM8KMT2AGAATSHR
SCHEMBL8558598 0.76 IDO1 (0.53) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL172877 0.76 SLC6A2 (0.38) —
SCHEMBL9722001 0.74 IDO1 (0.55) TRPM8LMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590057-B2 Isotopic fluorination and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-03-17 — — 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-10590057-B2 Isotopic fluorination and applications thereof FTH1, SFXN3, SOD1 TRPM8 4419/4885LMNA 1987/4885ALDH1A1 3943/4885

“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.

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