SCHEMBL620950

SCHEMBL620950

CCC(CC)C(=O)C(C(=O)[O-])(C(C)C)C(C)C.CCC(CC)C(=O)C(C(=O)[O-])(C(C)C)C(C)C.CCC(CC)C(=O)C(C(=O)[O-])(C(C)C)C(C)C.CCC(CC)C(=O)C(C(=O)[O-])(C(C)C)C(C)C.[Ti+4]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
TSHR P16473 4/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL4443432 0.78 CA2 (0.35) CA2TSHRUSP2
SCHEMBL3241100 0.72 CA2 (0.36) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL21268867 0.71 CA1 (0.33) CA2TSHR
Lithium Ion SCHEMBL21269967 0.71 CA1 (0.33) CA2TSHR
SCHEMBL18152013 0.71 CA1 (0.33) CA2TSHR
SCHEMBL21269991 0.71 CA1 (0.33) CA2TSHR
SCHEMBL21269234 0.71 CA2 (0.39) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL21269567 0.71 CA1 (0.33) CA2TSHR
Potassium Ion SCHEMBL21268954 0.71 CA4 (0.37) CA2TSHR
SCHEMBL2454759 0.71 CA2 (0.32) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356307-A1 VULCANISABLE SILICONE COMPOSITIONS DOW SILICONES CORP (US) 2022-11-10 US disclosed
US-20120039837-A1 Hair-Treatment Compositions with Corneocyte Proteins or Polypeptides and Silicone(s) SOMFLETH PETRA (DE) 2012-02-16 US disclosed
US-20080152604-A1 SKIN-LIGHTENING COMPOSITIONS WITH AN IMPROVED ACTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-06-26 US disclosed
US-20070292378-A1 Hair-treatment compositions with corneocyte proteins or polypeptides and silicone(s) HENKEL AG & CO. KGAA (DE) 2007-12-20 US disclosed
EP-0802222-A1 Method of adhesion improvement for silicone compositions DOW CORNING CORPORATION (US) 1997-10-22 EP disclosed
EP-0236043-B1 IMPROVED ROOM-TEMPERATURE CURING SILICONE SEALANTS DOW CORNING CORPORATION (US) 1992-06-03 EP disclosed
EP-0236043-A2 Improved room-temperature curing silicone sealants DOW CORNING CORPORATION (US) 1987-09-09 EP disclosed
US-4652624-A IMPROVING OIL SWELL RESISTANCE AND SHELF LIFE DOW CORNING CORPORATION (US) 1987-03-24 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 (3 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-20070292378-A1 Hair-treatment compositions with corneocyte proteins or polypeptides and silicone(s) CUTA, KRT18, PLOD3 CA2 3598/4885TSHR 2089/4885CYP3A4 4758/4885
US-20120039837-A1 Hair-Treatment Compositions with Corneocyte Proteins or Polypeptides and Silicone(s) CUTA, KRT18, PLOD3 CA2 3598/4885TSHR 2089/4885CYP3A4 4758/4885
US-20080152604-A1 SKIN-LIGHTENING COMPOSITIONS WITH AN IMPROVED ACTION ALAD, TYR, CYP24A1 CA2 549/4885TSHR 3449/4885CYP3A4 1725/4885

“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.