SCHEMBL20004355

SCHEMBL20004355

CC(C)c1ccc(OCCF)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
APP P05067 5/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MAOB P27338 1/20 0.42

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
SCHEMBL14441203 0.90 MEN1 (0.56) MEN1KMT2AAPPALDH1A1LMNA
SCHEMBL20004342 0.89 APP (0.57) MEN1KMT2AAPPLMNAHTT
SCHEMBL21467376 0.88 MEN1 (0.54) MEN1KMT2AAPPLMNAHTT
SCHEMBL10824702 0.87 KMT2A (0.59) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL14579974 0.85 MEN1 (0.62) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL10593412 0.85 MEN1 (0.62) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL12451533 0.84 APP (0.47) APPALDH1A1TDP1
SCHEMBL20004498 0.84 APP (0.47) MEN1KMT2AAPPALDH1A1TDP1
SCHEMBL10457893 0.83 CYP17A1 (0.48) MEN1KMT2AAPPRAB9ATDP1
SCHEMBL1290714 0.83 TAAR1 (0.54) MEN1KMT2ALMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT MEN1 672/4885KMT2A 4069/4885APP 15/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT MEN1 927/4885KMT2A 4162/4885APP 16/4885

“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.