SCHEMBL17308698

SCHEMBL17308698

C=C(C)C(=O)NCCNCCNCCNC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.33
PAOX Q6QHF9 1/20 0.31
CA3 P07451 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL112305 0.94 TGFBR1 (0.36) TGFBR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL22341966 0.91 TGFBR1 (0.35) TGFBR1KDM4EALDH1A1
SCHEMBL16267884 0.91 TGFBR1 (0.38) TGFBR1PAOXCA3CA5ACA5B
Sulfuric Acid SCHEMBL6211665 0.86 TGFBR1 (0.36) TGFBR1KDM4E
SCHEMBL316224 0.84 TGFBR1 (0.41) TGFBR1PAOXKDM4EALDH1A1
SCHEMBL29084692 0.83 TGFBR1 (0.33) TGFBR1PAOXCA3CA5ACA5B
SCHEMBL3278602 0.83 PAOX (0.48) TGFBR1PAOXCA3CA5ACA5B
SCHEMBL3310606 0.83 TGFBR1 (0.37) TGFBR1PAOXCA3CA5ACA5B
SCHEMBL11866190 0.82 TGFBR1 (0.38) TGFBR1KDM4EALDH1A1
SCHEMBL6135318 0.82 CA5B (0.44) TGFBR1PAOXCA3CA5ACA5B

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
EP-2979686-A1 ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, METHOD FOR FORMING ARTIFICIAL NAIL, METHOD FOR REMOVING ARTIFICIAL NAIL, AND NAIL ART KIT FUJIFILM Corporation (JP) 2016-02-03 EP disclosed
US-20150342320-A1 ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, METHOD FOR FORMING ARTIFICIAL NAIL, METHOD FOR REMOVING ARTIFICIAL NAIL, AND NAIL ART KIT FUJIFILM CORPORATION (JP) 2015-12-03 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-20150342320-A1 ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, METHOD FOR FORMING ARTIFICIAL NAIL, METHOD FOR REMOVING ARTIFICIAL NAIL, AND NAIL ART KIT POLR1C, PIK3C3, PRKDC TGFBR1 3614/4885PAOX 3781/4885CA3 2474/4885

“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.