SCHEMBL12376985

SCHEMBL12376985

O=C(CC(=O)NCCOCCO)NCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ECE1 P42892 1/20 0.35
ACHE P22303 1/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
GAA P10253 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
SCHEMBL12313843 0.88 TSHR (0.46) TSHRMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL4270081 0.88 TSHR (0.46) TSHRMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL19560737 0.86 NAAA (0.47) TSHRMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7264567 0.86 SMN1; SMN2 (0.48) TSHRMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL20822014 0.86 MEN1 (0.48) TSHRMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL12285997 0.85 MEN1 (0.52) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL12752075 0.85 GAA (0.47) TSHRMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL1415986 0.85 TSHR (0.42) TSHRMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL20244904 0.85 CA2 (0.48) TSHRMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL21925689 0.83 TSHR (0.50) TSHRMAPK1MEN1KMT2ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2030966-B1 BENZYLIDENE MALONAMIDE AND SALT THEREOF, ULTRAVIOLET RAY ABSORBENT, AND AGENT FOR EXTERNAL APPLICATION TO THE SKIN SHISEIDO CO LTD (JP) 2013-01-02 EP disclosed
US-8003083-B2 Benzylidene malonamide and salt thereof, ultraviolet ray absorbent, and agent for external application to the skin SHISEIDO COMPANY, LTD. (JP) 2011-08-23 US disclosed
US-8003083-B2 Benzylidene malonamide and salt thereof, ultraviolet ray absorbent, and agent for external application to the skin SHISEIDO COMPANY, LTD. (JP) 2011-08-23 US disclosed
US-20100254921-A1 Benzylidene Malonamide And Salt Thereof, Ultraviolet Ray Absorbent, And Agent For External Application To The Skin SHISEIDO COMPANY, LTD. (JP) 2010-10-07 US disclosed
US-20100254921-A1 Benzylidene Malonamide And Salt Thereof, Ultraviolet Ray Absorbent, And Agent For External Application To The Skin SHISEIDO COMPANY, LTD. (JP) 2010-10-07 US disclosed
EP-2030966-A1 BENZYLIDENE MALONAMIDE AND SALT THEREOF, ULTRAVIOLET RAY ABSORBENT, AND AGENT FOR EXTERNAL APPLICATION TO THE SKIN SHISEIDO COMPANY, LTD. (JP) 2009-03-04 EP 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-20100254921-A1 Benzylidene Malonamide And Salt Thereof, Ultraviolet Ray Absorbent, And Agent For External Application To The Skin UROD, MAL2, SI TSHR 3621/4885MAPK1 959/4885MEN1 692/4885

“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.