SCHEMBL29964993

SCHEMBL29964993

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N2Cc3ccccc3C[C@H]2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
JAK2 O60674 1/20 0.48
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP9 P14780 10/20 0.45
MMP1 P03956 7/20 0.45
MMP3 P08254 5/20 0.45
ADAM17 P78536 4/20 0.45
ADAM9 Q13443 3/20 0.45
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AREG P15514 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
NPY2R P49146 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42

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
SCHEMBL30518304 0.85 MMP9 (0.46) MEN1GAAMAPTKMT2AMMP9
SCHEMBL10037305 0.76 ACE (0.50) CHEK1JAK2POLBTDP1L3MBTL1
SCHEMBL10037303 0.76 ACE (0.50) CHEK1JAK2POLBTDP1L3MBTL1
SCHEMBL4118662 0.75 MEN1 (0.66) CHEK1JAK2MEN1GAAMAPT
SCHEMBL8383957 0.75 MEN1 (0.66) CHEK1JAK2MEN1GAAMAPT
SCHEMBL6920302 0.74 HDAC8 (0.53) CHEK1JAK2MEN1GAAMAPT
SCHEMBL13856619 0.73 POLB (0.72) MAPTMMP3POLBTDP1L3MBTL1
SCHEMBL5098064 0.73 POLB (0.72) MAPTMMP3POLBTDP1L3MBTL1
SCHEMBL31685843 0.73 POLB (0.72) MAPTMMP3POLBTDP1L3MBTL1
SCHEMBL8383233 0.73 POLB (0.72) MAPTMMP3POLBTDP1L3MBTL1

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-20240041972-A1 CONJUGATES FOR IMMUNOTHERAPY UNIVERSITY OF SOUTH FLORIDA 2024-02-08 US claimed
US-20240041972-A1 CONJUGATES FOR IMMUNOTHERAPY UNIVERSITY OF SOUTH FLORIDA 2024-02-08 US disclosed
US-20230158016-A1 DELTA OPIOID RECEPTOR ANTAGONISTS REPROGRAM IMMUNOSUPPRESSIVE MICROENVIRONMENT TO BOOST IMMUNOTHERAPY NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
EP-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP 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-20230158016-A1 DELTA OPIOID RECEPTOR ANTAGONISTS REPROGRAM IMMUNOSUPPRESSIVE MICROENVIRONMENT TO BOOST IMMUNOTHERAPY OPRD1, OPRM1, OPRK1 CHEK1 4012/4885JAK2 281/4885MEN1 4757/4885

“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.