SCHEMBL14200340

SCHEMBL14200340

CC(C)c1ccc(CN2CCN(C)CC2)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
HTR6 P50406 9/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR7 P34969 1/20 0.44
ATM Q13315 1/20 0.44
CHKA P35790 1/20 0.44
NR1H2 P55055 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
HTR2A P28223 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
SCHEMBL25592349 0.84 ALDH1A1 (0.46) ALDH1A1LMNATSHRHTR6KDM4E
SCHEMBL15417375 0.83 ALDH1A1 (0.61) ALDH1A1LMNATSHRHTR6KDM4E
SCHEMBL14200319 0.83 KCNH2 (0.59) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL14924088 0.83 HTR6 (0.47) ALDH1A1LMNATSHRHTR6KDM4E
SCHEMBL15371491 0.80 NR1H2 (0.67) ALDH1A1LMNATSHRHTR6KDM4E
SCHEMBL15614461 0.79 MC4R (0.53) ALDH1A1HTR6KDM4EPOLBKMT2A
SCHEMBL14355821 0.77 MEN1 (0.49) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL20075993 0.76 POLB (0.64) ALDH1A1HTR6KDM4EPOLBTDP1
SCHEMBL6894415 0.75 LMNA (0.68) ALDH1A1LMNAHTR6KDM4ECHKA
SCHEMBL14846680 0.75 KDM4E (0.48) ALDH1A1LMNAHTR6KDM4EPOLB

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
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885LMNA 4466/4885TSHR 508/4885

“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.