SCHEMBL3787398

SCHEMBL3787398

N#Cc1ccc(-c2ccc(NCCCCO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MERTK Q12866 1/20 0.45
MMP3 P08254 3/20 0.44
KIF11 P52732 1/20 0.41
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
KCNH3 Q9ULD8 1/20 0.39
PRSS1 P07477 4/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
F2 P00734 2/20 0.38
PRSS2 P07478 2/20 0.38

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
SCHEMBL8977551 0.95 MERTK (0.49) ALDH1A1MERTKMMP3KIF11CHRM1
SCHEMBL31475206 0.95 ALDH1A1 (0.50) ALDH1A1MERTKKCNH3PRSS1SAE1
SCHEMBL23961158 0.93 ALDH1A1 (0.49) ALDH1A1MERTKKCNH3PRSS1SAE1
SCHEMBL11177848 0.93 ALDH1A1 (0.49) ALDH1A1MERTKKCNH3PRSS1SAE1
SCHEMBL2963239 0.90 MERTK (0.52) ALDH1A1MERTKPRSS1SAE1UBA2
SCHEMBL5516545 0.86 ALDH1A1 (0.44) ALDH1A1PRSS1ABCG2SAE1UBA2
SCHEMBL5712397 0.84 PRSS1 (0.46) ALDH1A1PRSS1ABCG2SAE1UBA2
SCHEMBL5712390 0.84 PRSS1 (0.46) ALDH1A1PRSS1ABCG2SAE1UBA2
SCHEMBL6418566 0.84 PRSS1 (0.46) ALDH1A1PRSS1ABCG2SAE1UBA2
SCHEMBL1063377 0.82 SAE1 (0.44) ALDH1A1MERTKMMP3SAE1UBA2

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
US-7662572-B2 Compositions and liquid crystals PLATYPUS TECHNOLOGIES, LLC. (US) 2010-02-16 US disclosed
US-20070099249-A1 Compositions and liquid crystals PLATYPUS TECHNOLOGIES, LLC (US) 2007-05-03 US disclosed
WO-2007025129-A2 COMPOSITIONS AND LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC. (US) 2007-03-01 WO 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-20070099249-A1 Compositions and liquid crystals FABP5, FABP1, SSB ALDH1A1 4540/4885MERTK 1585/4885MMP3 3919/4885

“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.