SCHEMBL14586397

SCHEMBL14586397

CN(CCCCCC(C)(C)C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL19249149 1.00 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL13602684 0.97 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL15706255 0.90
SCHEMBL12619778 0.84 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL23683081 0.79
SCHEMBL17523775 0.79 ALDH1A1 (0.61) ALDH1A1TSHR
SCHEMBL17523760 0.79 ALDH1A1 (0.61) ALDH1A1TSHR
SCHEMBL20646820 0.79 ALDH1A1 (0.61) ALDH1A1TSHR
SCHEMBL23873076 0.79 ALDH1A1 (0.61) ALDH1A1TSHR
SCHEMBL12830232 0.79 ALDH1A1 (0.61) ALDH1A1TSHR

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
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 US disclosed
US-20170119033-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX INC (US) 2017-05-04 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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 (2 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS ALDH1A1 2370/4885TSHR 3858/4885
US-20170119033-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TREH, SNRPE, CEL ALDH1A1 3968/4885TSHR 4372/4885

“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.