SCHEMBL21402607

SCHEMBL21402607

CCCC1CCCCC1OCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL21402629 0.87 USP2 (0.36) USP2MEN1KMT2A
SCHEMBL21809426 0.81 CYP1A2 (0.36) CA1CA2CA4USP2KDM4E
SCHEMBL20169128 0.76 CYP19A1 (0.35) CA1CA2CA4USP2KDM4E
SCHEMBL29314984 0.75 CA1 (0.48) CA1CA2CA4
SCHEMBL21402656 0.75 CA1 (0.46) CA1CA2CA4MEN1KMT2A
SCHEMBL21402642 0.73 MEN1 (0.44) USP2KDM4EMEN1KMT2ALMNA
SCHEMBL21402635 0.72 MEN1 (0.36) USP2KDM4EMEN1KMT2A
SCHEMBL21402609 0.70 KDM4E (0.33) USP2KDM4EMEN1KMT2ALMNA
SCHEMBL21402621 0.70 MEN1 (0.40) USP2KDM4EDUSP3MEN1KMT2A
SCHEMBL13745541 0.69 CA1 (0.50) CA1CA2CA4KDM4E

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-110225739-B Wrinkle-improving agent 宝丽化成工业有限公司 2022-03-15 CN disclosed
US-10813859-B2 Wrinkle ameliorating agent POLA CHEMICAL INDUSTRIES, INC. (JP) 2020-10-27 US disclosed
EP-3545942-A1 WRINKLE AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2019-10-02 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-10813859-B2 Wrinkle ameliorating agent COL2A1, COL1A1, COL14A1 CA1 4834/4885CA2 4081/4885CA4 4389/4885

“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.