SCHEMBL6480469

SCHEMBL6480469

CC(C)=CCCC(N)CCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TACR1 P25103 3/20 0.38
ICMT O60725 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC1A1 P43005 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL6480466 1.00 TSHR (0.39) TSHRATMTDP1L3MBTL1TACR1
SCHEMBL6492793 0.84 CA1 (0.43) TSHRATMTDP1L3MBTL1CYP2C19
SCHEMBL6492790 0.84 CA1 (0.43) TSHRATMTDP1L3MBTL1CYP2C19
SCHEMBL7930882 0.84 ALOX15 (0.49) TSHRATMTDP1L3MBTL1CYP2C19
SCHEMBL6120248 0.79 TSHR (0.47) TSHRTDP1L3MBTL1TACR1CYP2C19
SCHEMBL6120592 0.79 TSHR (0.47) TSHRTDP1L3MBTL1TACR1CYP2C19
SCHEMBL1569297 0.77 TSHR (0.48) TSHRTACR1CYP2C19SLC1A1HTT
SCHEMBL3164232 0.77 TSHR (0.48) TSHRTACR1CYP2C19SLC1A1HTT
SCHEMBL29337772 0.77 TSHR (0.48) TSHRTACR1CYP2C19SLC1A1HTT
SCHEMBL31399488 0.76 L3MBTL1 (0.50) TSHRTDP1L3MBTL1TRPV1ALDH1A1

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-20050239804-A1 Method for improved chemical synthesis of guanidinium alkaloids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 US disclosed
CN-1487942-A Hexahydropyrrolo [1,2-c] pyrimidines as antiviral, antifungal and/or antitumor agents �Ϻ���ͨ��ѧ 2004-04-07 CN 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-20050239804-A1 Method for improved chemical synthesis of guanidinium alkaloids PAICS, TYMS, IMPDH1 TSHR 3398/4885ATM 4193/4885TDP1 904/4885

“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.