SCHEMBL25933768

SCHEMBL25933768

O=C(O)c1ccc(C2(O)CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
RXRA P19793 7/20 0.42
RXRB P28702 3/20 0.42
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
RXRG P48443 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SRD5A2 P31213 1/20 0.40
S1PR2 O95136 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
TYR P14679 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL17869355 0.86 TSHR (0.55) TSHRTP53RXRACYP26A1CYP26B1
SCHEMBL11894644 0.82 TSHR (0.50) TSHRTP53RXRASRD5A2S1PR2
SCHEMBL15128958 0.82 TSHR (0.50) TSHRTP53RXRASRD5A2S1PR2
SCHEMBL2357529 0.81 TSHR (0.48) TSHRTP53RXRAPKMHRH3
SCHEMBL12493168 0.81 WDR91 (0.53) TSHRTP53RXRAGAAPKM
SCHEMBL744673 0.81 RXRA (0.46) POLBTSHRTP53RXRARXRB
SCHEMBL196949 0.80 POLB (0.56) POLBTSHRTP53RXRARXRB
SCHEMBL25331702 0.80 ALDH1A1 (0.51) POLBTSHRMAPTCA1CA2
SCHEMBL1255944 0.78 OPRL1 (0.52) POLBTSHRHRH3
SCHEMBL4688120 0.78 DRD2 (0.59) TSHRTP53RXRACYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
WO-2022015977-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO 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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 POLB 430/4885TSHR 4487/4885TP53 10/4885

“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.