SCHEMBL6312255

SCHEMBL6312255

CC(C)=C(C)c1cc(NCCO)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CASP6 P55212 2/20 0.35
POLB P06746 1/20 0.35
MMP14 P50281 1/20 0.35
BLM P54132 1/20 0.35
MAPT P10636 5/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
SYK P43405 1/20 0.32
EGFR P00533 1/20 0.31
KDM4E B2RXH2 5/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 4/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6311666 0.78 ALDH1A1 (0.35) ALDH1A1KMT2ACASP6MAPTCYP3A4
SCHEMBL20624882 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL6342530 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL28856678 0.74 MEN1 (0.44) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL8282316 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL6304570 0.74 MEN1 (0.32) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL6304569 0.74 MEN1 (0.32) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL16477260 0.73 LMNA (0.42) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL11443275 0.73 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CASP6POLB
SCHEMBL4534380 0.72 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CASP6MAPT

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-6849766-B2 1,4-diamino-2-alkenylbenzene derivatives, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-03 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-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds AOC1, AOX1, GPX1 ALDH1A1 5/4885KMT2A 3908/4885MEN1 4236/4885

“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.