SCHEMBL3871222

SCHEMBL3871222

C#CCC(=C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CASP1 P29466 1/20 0.36
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29229765 0.83 TSHR (0.40) ALDH1A1TSHRLMNAGAATHRB
SCHEMBL2580163 0.81 ALDH1A1 (0.59) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL29229764 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL9873048 0.77
SCHEMBL14533248 0.77 ALDH1A1 (0.52) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL35720 0.77
SCHEMBL13866601 0.76
SCHEMBL29229757 0.75 CYP3A4 (0.36) ALDH1A1TSHRMAPTHSD17B10MEN1
SCHEMBL29229758 0.75
SCHEMBL36653 0.75

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
CN-113490674-B Compound, additive for electrolyte, electrochemical device, lithium ion secondary battery, and module 大金工业株式会社 2024-06-07 CN disclosed
US-7521469-B2 Phosphinic amino acid compounds LES LABORATOIRES SERVIER (FR) 2009-04-21 US disclosed
US-20080153890-A1 Phosphinic Amino Acid Compounds LES LABORATOIRES SERVER (FR) 2008-06-26 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-20080153890-A1 Phosphinic Amino Acid Compounds NPR1, NPPA, AADAT ALDH1A1 2177/4885TSHR 1322/4885MAPT 4149/4885

“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.