SCHEMBL47367

SCHEMBL47367

CC(C)Cc1ccc(CNCCc2cc(F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.38
KCNH2 Q12809 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
Hydrochloric Acid SCHEMBL16497020 0.99 L3MBTL1 (0.43) L3MBTL1KDM4ETDP1ALDH1A1LMNA
SCHEMBL47299 0.84 CA1 (0.50) L3MBTL1KDM4ETDP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL16496292 0.83 CA1 (0.49) L3MBTL1KDM4ETDP1ALDH1A1LMNA
SCHEMBL8244696 0.79 HTR2A (0.43) ALDH1A1LMNACYP3A4HTR2AHTR2C
SCHEMBL16496476 0.78 CA1 (0.53) L3MBTL1KDM4ETDP1
SCHEMBL5177574 0.74 CA1 (0.56) L3MBTL1KDM4EALDH1A1LMNACYP3A4
SCHEMBL13590877 0.73 TAAR1 (0.51) ALDH1A1KMT2ACYP3A4TMEM97CYP1A2
SCHEMBL5198980 0.72 KDM4E (0.60) KDM4ETDP1LMNAMEN1KMT2A
SCHEMBL3941164 0.71 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL43964 0.71 TACR1 (0.40) L3MBTL1KDM4EMEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011157670-A2 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 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-20110313196-A1 NOVEL PROCESS CYP3A5, CYP3A4, GBA1 L3MBTL1 4868/4885KDM4E 2003/4885TDP1 4214/4885

“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.