SCHEMBL21782941

SCHEMBL21782941

CC(C)C(C)Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 2/20 0.55
SLC6A4 P31645 1/20 0.48
MAOB P27338 1/20 0.44
TRPA1 O75762 3/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 2/20 0.41
LSS P48449 1/20 0.41
AKT1 P31749 2/20 0.40
ALOX15 P16050 3/20 0.39
ALOX12 P18054 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 2/20 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
SCHEMBL8679555 0.94 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4TRPA1PPARG
SCHEMBL8229348 0.83 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4MAOBPPARG
SCHEMBL20714984 0.79 SLC6A2 (0.88) SLC6A2SLC6A3SLC6A4
SCHEMBL3940696 0.78 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4TRPA1PPARG
SCHEMBL11830999 0.78 PPARG (0.51) SLC6A2SLC6A3PPARGPPARAROCK2
SCHEMBL764989 0.75 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4ESR1LMNA
SCHEMBL13802342 0.74 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4MAOBPPARG
SCHEMBL8676494 0.73 TRPA1 (0.47) SLC6A2SLC6A3TRPA1PPARGALOX15
SCHEMBL2326795 0.73 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL19342839 0.72 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934326-B2 Peripheral modifications on pocket-redesigned vancomycin analogs synergistically improve antimicrobial potency and durability THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-02 US disclosed
US-20200071359-A1 PERIPHERAL MODIFICATIONS ON POCKET-REDESIGNED VANCOMYCIN ANALOGS SYNERGISTICALLY IMPROVE ANTIMICROBIAL POTENCY AND DURABILITY THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 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-10934326-B2 Peripheral modifications on pocket-redesigned vancomycin analogs synergistically improve antimicrobial potency and durability DDOST, DNPEP, AAAS SLC6A2 3483/4885SLC6A3 1911/4885SLC6A4 2422/4885
US-20200071359-A1 PERIPHERAL MODIFICATIONS ON POCKET-REDESIGNED VANCOMYCIN ANALOGS SYNERGISTICALLY IMPROVE ANTIMICROBIAL POTENCY AND DURABILITY DDOST, DNPEP, AAAS SLC6A2 3483/4885SLC6A3 1911/4885SLC6A4 2422/4885

“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.