SCHEMBL12697240

SCHEMBL12697240

CCC(C)c1ccc(C(C)(C)C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
ALOX12 P18054 1/20 0.43
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 2/20 0.41
HTR2A P28223 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
EPHX2 P34913 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL10267397 0.84 HDAC4 (0.44) ALDH1A1LMNATP53HPGDALOX15
SCHEMBL25596247 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNATP53ALOX12
SCHEMBL858472 0.80 ALDH1A1 (0.39) ALDH1A1MAPTLMNATP53ALOX12
SCHEMBL26078919 0.80 ALDH1A1 (0.42) ALDH1A1MAPTLMNATP53ALOX12
SCHEMBL8298141 0.80 ALDH1A1 (0.60) ALDH1A1MAPTLMNATP53ALOX12
SCHEMBL20061716 0.79 MAPT (0.40) ALDH1A1MAPTLMNATP53ALOX12
SCHEMBL9782923 0.79 ALDH1A1 (0.46) ALDH1A1MAPTLMNATP53ALOX12
SCHEMBL11449785 0.77 ALDH1A1 (0.54) ALDH1A1MAPTLMNATP53HPGD
SCHEMBL12909064 0.77 ALDH1A1 (0.47) ALDH1A1MAPTLMNATP53ALOX12
SCHEMBL18618285 0.76 CYP3A4 (0.44) LMNATP53HPGDALOX15CYP3A4

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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 ALDH1A1 1764/4885MAPT 2611/4885LMNA 1347/4885

“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.