SCHEMBL12697241

SCHEMBL12697241

Cc1ccc(OC(C)C)cc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
PKM P14618 1/20 0.38
PARP10 Q53GL7 1/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
LMNA P02545 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
ALDH1A3 P47895 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12180428 0.90 MEN1 (0.44) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL12180740 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL26087451 0.82 KMT2A (0.44) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL8282093 0.81 CA12 (0.43) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL12695018 0.80 POLB (0.42) ALDH1A1POLBGAATDP1KMT2A
SCHEMBL14183048 0.79 MEN1 (0.47) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL25025647 0.79 KCNK3 (0.41) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL21276081 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL12180487 0.77 CA12 (0.48) ALDH1A1KMT2AMAPTMEN1
SCHEMBL14183057 0.76 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB

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
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
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 1764/4885KDM4E 2050/4885HPGD 1665/4885

“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.