SCHEMBL21764576

SCHEMBL21764576

CCCCOP(N)(=O)OCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LPAR3 Q9UBY5 3/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
HPGD P15428 1/20 0.35
TERT O14746 1/20 0.34
UCHL3 P15374 1/20 0.34
AKT1 P31749 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL617402 0.82 CYP3A4 (0.64) CYP3A4TSHRSMN1; SMN2LPAR3LPAR1
SCHEMBL144537 0.81 CYP3A4 (0.65) CYP3A4TSHRSMN1; SMN2LPAR3LPAR1
SCHEMBL21764574 0.78 CYP3A4 (0.58) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL21764804 0.78 CYP3A4 (0.58) CYP3A4TSHRSMN1; SMN2LPAR3LPAR1
SCHEMBL21764586 0.77 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL21764814 0.77 CYP3A4 (0.56) CYP3A4TSHRSMN1; SMN2LPAR3LPAR1
SCHEMBL7112272 0.76 CYP3A4 (0.57) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL1194563 0.76 LPAR3 (0.58) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL393907 0.74 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2AKT1
SCHEMBL9463219 0.74 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
US-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
WO-2022081594-A1 ANTIMICROBIAL COMBINATION THERAPEUTICS AEQUOR, INC. (US) 2022-04-21 WO disclosed
EP-3984540-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE Aequor, Inc. (US) 2022-04-20 EP disclosed
US-20200060280-A1 Antimicrobial Compounds and Methods of Use AEQUOR, INC. 2020-02-27 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-20200060280-A1 Antimicrobial Compounds and Methods of Use DDT, PFAS, DSTN CYP3A4 2361/4885TSHR 1132/4885SMN1; SMN2 4464/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 CYP3A4 1048/4885TSHR 1984/4885SMN1; SMN2 860/4885

“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.