SCHEMBL20130236

SCHEMBL20130236

CC(C)n1cc(COC(C)(C)C)nn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.41
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL19988357 0.90 CYP19A1 (0.41) CYP19A1RXRAGRIN1GRIN2BNPC1
SCHEMBL23191362 0.83 CYP19A1 (0.37) CYP19A1
SCHEMBL13453649 0.82 CYP19A1 (0.45) CYP19A1NPC1
SCHEMBL19988358 0.82 CYP19A1 (0.36) CYP19A1
SCHEMBL13949853 0.80 CYP19A1 (0.44) CYP19A1RXRAGRIN1GRIN2B
SCHEMBL21790466 0.79 CYP19A1 (0.43) CYP19A1
SCHEMBL16941584 0.79 CYP19A1 (0.43) CYP19A1
SCHEMBL15096767 0.77 P2RX7 (0.49) CYP19A1
SCHEMBL21166169 0.77 HDAC1 (0.35) RXRAGRIN1GRIN2BNPC1
SCHEMBL19841389 0.77 CYP19A1 (0.36) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ARES CAPITAL CORPORATION, AS AGENT 2023-09-14 US disclosed
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ARES CAPITAL CORPORATION, AS AGENT 2023-09-14 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-10286091-B2 Dendri-TAC and their use as theranostics UNIVERSITE D'AVIGNON ET DES PAYS DU VAUCLUSE (FR) 2019-05-14 US disclosed
US-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-05-10 US disclosed
US-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-05-10 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 (4 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-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS DBI, CDIPT, DGKI CYP19A1 2927/4885RXRA 1783/4885GRIN1 3691/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 CYP19A1 3601/4885RXRA 1709/4885GRIN1 3997/4885
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM CFTR, TSLP, MTREX CYP19A1 4799/4885RXRA 2120/4885GRIN1 4788/4885
US-10286091-B2 Dendri-TAC and their use as theranostics DBI, CDIPT, DGKI CYP19A1 2927/4885RXRA 1783/4885GRIN1 3691/4885

“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.