SCHEMBL3680032

SCHEMBL3680032

OC(C[C@H]1C[C@@H]2C=C[C@H]1C2)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL19380643 1.00 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL18714193 1.00 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3676593 1.00 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL15805635 1.00 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL75457 1.00 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ACYP1A2
Alcohol SCHEMBL2512964 0.93 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL118602 0.82 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL18713286 0.82 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8402175 0.82 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13324800 0.81 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES PROMERUS LLC (US) 2010-04-22 US disclosed
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES PROMERUS LLC (US) 2010-04-22 US disclosed
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES PROMERUS LLC (US) 2010-04-22 US disclosed
US-7662996-B2 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization PROMERUS, LLC (US) 2010-02-16 US disclosed
US-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization PROMERUS, LLC (US) 2009-05-07 US disclosed
US-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization PROMERUS, LLC (US) 2009-05-07 US disclosed
US-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization PROMERUS, LLC (US) 2009-05-07 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-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization MMAB, ADH1C, OXER1 KDM4E 3566/4885ALDH1A1 50/4885MEN1 526/4885
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES GNE, GALE, EXOSC5 KDM4E 2962/4885ALDH1A1 230/4885MEN1 1199/4885

“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.