SCHEMBL12848670

SCHEMBL12848670

CCCCOCCN(C)C(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 2/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
DNM1 Q05193 1/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
NAAA Q02083 1/20 0.34

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
SCHEMBL12452054 0.98 TSHR (0.42) TSHRCYP3A4ALDH1A1CES2ZDHHC20
SCHEMBL22856582 0.98 TSHR (0.42) TSHRCYP3A4ALDH1A1CES2ZDHHC20
SCHEMBL23945567 0.87 CES2 (0.44) TSHRALDH1A1CES2ZDHHC20DNM1
SCHEMBL19631974 0.86 NR1I2 (0.39) TSHRALDH1A1DNM1
SCHEMBL22856483 0.85 TSHR (0.41) TSHRCYP3A4ALDH1A1CES2ZDHHC20
SCHEMBL22793905 0.82 TSHR (0.45) TSHRCYP3A4ALDH1A1CES2ZDHHC20
SCHEMBL24668885 0.82 ALDH1A1 (0.44) TSHRALDH1A1MEN1THRBHTT
SCHEMBL16355252 0.82 THRA (0.38) TSHRCYP3A4ALDH1A1CES2ZDHHC20
SCHEMBL22849684 0.82 KDM4C (0.34)
SCHEMBL28047108 0.82 EPHX2 (0.40) TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates SYNTARGA B.V. (NL) 2011-03-17 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-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates PCNA, TOP1, TOP2B TSHR 2338/4885CYP3A4 3691/4885ALDH1A1 2231/4885

“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.