SCHEMBL6044950

SCHEMBL6044950

Cc1c(CN(C)C)c(C)c(CN(C)C)c(C)c1CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
CYP3A4 P08684 1/20 0.38
UPP1 Q16831 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 4/20 0.33
GAA P10253 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32

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
SCHEMBL11826128 0.86 UPP1 (0.38) MAPTCYP3A4UPP1ALDH1A1TSHR
SCHEMBL14890983 0.84 ALDH1A1 (0.42) MAPTCYP3A4UPP1ALDH1A1HRH3
SCHEMBL11278413 0.82 ALDH1A1 (0.39) MAPTCYP3A4UPP1ALDH1A1TSHR
SCHEMBL2884631 0.80 CYP3A4 (0.32) MAPTCYP3A4UPP1
SCHEMBL17482328 0.78 UPP1 (0.37) MAPTCYP3A4UPP1ALDH1A1TSHR
SCHEMBL15996298 0.74 CYP3A4 (0.45) MAPTCYP3A4UPP1ALDH1A1KDM4E
SCHEMBL14279381 0.74 ALDH1A1 (0.41) MAPTCYP3A4UPP1ALDH1A1TSHR
SCHEMBL10058699 0.73 MAPT (0.50) MAPTCYP3A4UPP1ALDH1A1HRH3
SCHEMBL10744786 0.73
SCHEMBL24611288 0.72 MAPT (0.39) MAPTCYP3A4UPP1ALDH1A1HRH3

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-20060210479-A1 Targeting chelants and chelates DOW GLOBAL TECHNOLOGIES INC. (US) 2006-09-21 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-20060210479-A1 Targeting chelants and chelates CLTC, CALCOCO2, TFRC MAPT 1403/4885CYP3A4 4787/4885UPP1 2824/4885

“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.