SCHEMBL21165459

SCHEMBL21165459

CCCC(C)(C)c1cncc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.43
PRKCZ Q05513 1/20 0.36
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP17A1 P05093 2/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21523951 0.86 SSTR4 (0.42) SSTR4PRKCZCYP11B1CYP11B2ADRA2A
SCHEMBL25541010 0.82 SSTR4 (0.46) SSTR4PRKCZSLC22A12CYP1A2CYP3A4
SCHEMBL2126064 0.80 CYP2A6 (0.40) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL21018235 0.78 TRPV1 (0.32) SLC22A12
SCHEMBL803042 0.78 SSTR4 (0.46) SSTR4PRKCZCYP11B1CYP11B2ADRA2A
SCHEMBL22639188 0.78 CYP3A4 (0.46) SSTR4PRKCZCYP11B1CYP11B2ADRA2A
SCHEMBL24656746 0.76 MAPT (0.36) SLC22A12CYP3A4CYP17A1KDM4E
SCHEMBL16240891 0.75 SSTR4 (0.44) SSTR4PRKCZCYP11B1CYP11B2ADRA2A
SCHEMBL22794684 0.73 LMNA (0.46) SSTR4PRKCZSLC22A12CYP1A2CYP3A4
SCHEMBL11142241 0.71 CYP11B2 (0.55) SSTR4PRKCZCYP11B1CYP11B2ADRA2A

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-11066447-B2 Aureobasidium derivatives and methods of synthesis AueroGen Biosciences, Inc. (US) 2021-07-20 US disclosed
US-20190292225-A1 AUREOBASIDIUM DERIVATIVES AND METHODS OF SYNTHESIS AUREOGEN BIOSCIENCES, INC. 2019-09-26 US disclosed
US-10351572-B2 Aryl hydrocarbon receptor antagonists and uses thereof Magenta Therapeutics Inc. (US) 2019-07-16 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 (3 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-20190292225-A1 AUREOBASIDIUM DERIVATIVES AND METHODS OF SYNTHESIS ERG28, FDPS, AAAS SSTR4 3418/4885PRKCZ 3365/4885CYP11B1 296/4885
US-11066447-B2 Aureobasidium derivatives and methods of synthesis ERG28, FDPS, AAAS SSTR4 3418/4885PRKCZ 3365/4885CYP11B1 296/4885
US-10351572-B2 Aryl hydrocarbon receptor antagonists and uses thereof AHR, ARNT, AIPL1 SSTR4 1646/4885PRKCZ 3074/4885CYP11B1 1022/4885

“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.