SCHEMBL21027973

SCHEMBL21027973

O=C(OCc1ccccc1)c1cccc2c1Cc1ccccc1N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 4/20 0.50
BRD4 O60885 1/20 0.50
CREBBP Q92793 1/20 0.50
L3MBTL1 Q9Y468 5/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 3/20 0.45
MAPK1 P28482 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
MMP1 P03956 1/20 0.43
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL21027971 0.85 BRD4 (0.56) ALDH1A1TDP1BRD4CREBBPL3MBTL1
SCHEMBL496850 0.79 TRPA1 (0.49) ALDH1A1MAPK1KMT2ARAB9ACYP1A2
SCHEMBL21027974 0.77 TDP1 (0.51) ALDH1A1TDP1L3MBTL1SLC6A2SLC6A3
SCHEMBL3071594 0.77 ALDH1A1 (0.51) ALDH1A1TDP1BRD4CREBBPL3MBTL1
Potassium SCHEMBL11752328 0.76 ALDH1A1 (0.50) ALDH1A1TDP1BRD4CREBBPL3MBTL1
SCHEMBL9856134 0.76 ALDH1A1 (0.50) ALDH1A1TDP1BRD4CREBBPL3MBTL1
SCHEMBL25701086 0.75 ALDH1A1 (0.52) ALDH1A1TDP1BRD4CREBBPL3MBTL1
SCHEMBL28278484 0.75 TRPA1 (0.50) ALDH1A1TSHRMAPK1KMT2ARAB9A
SCHEMBL7200083 0.74 AHR (0.41) ALDH1A1TDP1MAPK1KMT2ARAB9A
SCHEMBL50441 0.73 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1TSHRCYP3A4

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-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE Stingthera, Inc. 2021-01-07 US disclosed
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use SILICON SWAT, INC. (US) 2020-08-18 US disclosed
US-20190161449-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. 2019-05-30 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-20190161449-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS ALDH1A1 1078/4885TDP1 140/4885BRD4 3152/4885
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS ALDH1A1 1078/4885TDP1 140/4885BRD4 3152/4885
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use STING1, IRF3, CGAS ALDH1A1 1078/4885TDP1 140/4885BRD4 3152/4885

“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.