SCHEMBL30368252

SCHEMBL30368252

Cc1c(O)cc(O)c(C(=O)N2CCc3ccc(C(=O)N(C)C)cc3C2)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
TMEM97 Q5BJF2 4/20 0.41
SIGMAR1 Q99720 4/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
GPR183 P32249 1/20 0.40
BRD4 O60885 1/20 0.39
SPR P35270 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
FFAR1 O14842 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
STS P08842 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL25249624 1.00 ESR1 (0.41) ESR1TMEM97SIGMAR1HSP90AA1HSP90AB1
SCHEMBL30368500 0.97 TMEM97 (0.41) ESR1TMEM97SIGMAR1HSP90AA1HSP90AB1
SCHEMBL25249465 0.97 TMEM97 (0.41) ESR1TMEM97SIGMAR1HSP90AA1HSP90AB1
SCHEMBL30301744 0.93 BRD4 (0.42) TMEM97SIGMAR1HSP90AA1HSP90AB1BRD4
SCHEMBL25669016 0.87 KMT2A (0.45) TMEM97SIGMAR1GPR183SPRHPGD
SCHEMBL30368318 0.87 SPR (0.51) HSP90AA1HSP90AB1SPRHPGDALDH1A1
SCHEMBL25669000 0.87 SPR (0.51) HSP90AA1HSP90AB1SPRHPGDALDH1A1
SCHEMBL30301552 0.87 QRFPR (0.44) ESR1TMEM97SIGMAR1HSP90AA1GPR183
SCHEMBL25224124 0.87 QRFPR (0.44) ESR1TMEM97SIGMAR1HSP90AA1GPR183
SCHEMBL30301562 0.85 CA1 (0.46) ESR1TMEM97SIGMAR1GPR183HPGD

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
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN claimed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN 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-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 ESR1 3086/4885TMEM97 1495/4885SIGMAR1 3989/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 ESR1 800/4885TMEM97 2944/4885SIGMAR1 4819/4885

“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.