SCHEMBL25445993

SCHEMBL25445993

CCCC(C)NCNCC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.33
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 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
SCHEMBL16137224 1.00 TSHR (0.36) TSHRTP53ADH1BADH1CADH1A
SCHEMBL3692349 0.90 ADH1B (0.32) TSHRADH1BADH1CADH1AADH4
SCHEMBL16869864 0.79
SCHEMBL4155536 0.78
SCHEMBL13660465 0.78
SCHEMBL20820753 0.77 TP53 (0.35) TP53
Hydrochloric Acid SCHEMBL22575437 0.76
SCHEMBL10045266 0.73 CYP2C19 (0.54) TSHRADH1BADH1CADH1AADH4
SCHEMBL23600067 0.73 TSHR (0.52) TSHRADH1BADH1CADH1AADH4
SCHEMBL31008624 0.73 SIGMAR1 (0.37) TSHRADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145782-A1 p53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-11 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-20230145782-A1 p53 MODULATORS AND USES THEREOF TP53, TP53BP1, MDM2 TSHR 4196/4885TP53 1/4885ADH1B 1030/4885

“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.