SCHEMBL16356907

SCHEMBL16356907

C=CC(=O)OCC[N+](C)(CC)CCCS(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.36
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
BBOX1 O75936 1/20 0.32
CHRM2 P08172 1/20 0.32
EPHX2 P34913 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16356900 0.94 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL867207 0.84 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
Water SCHEMBL15390211 0.83 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
Lithium Ion SCHEMBL31448655 0.83 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1598545 0.82 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL35504 0.81 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL29107051 0.81 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11024591 0.81 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL31509565 0.81 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
Tetramethylammonium Ion SCHEMBL3462396 0.81 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53

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-20160369064-A1 DENDRITIC POLYMER, DENDRITIC POLYMER MONOMER, AND HYPERBRANCHED COPOLYMER CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-12-22 US disclosed
US-9475894-B2 Dendritic polymer, dendritic polymer monomer, and hyperbranched copolymer CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-10-25 US disclosed
US-20140378638-A1 DENDRITIC POLYMER, DENDRITIC POLYMER MONOMER, AND HYPERBRANCHED COPOLYMER CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2014-12-25 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-20160369064-A1 DENDRITIC POLYMER, DENDRITIC POLYMER MONOMER, AND HYPERBRANCHED COPOLYMER ZYX, F12, NPY5R TSHR 1731/4885HPGD 2233/4885ALDH1A1 4831/4885

“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.