SCHEMBL30900044

SCHEMBL30900044

COC(=O)C1(Oc2cc(Br)ccc2OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
SLC6A4 P31645 3/20 0.48
LRRK2 Q5S007 4/20 0.47
PTGER1 P34995 4/20 0.46
CCR5 P51681 2/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
USP28 Q96RU2 1/20 0.45
USP25 Q9UHP3 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL16533373 0.79 ALDH1A1 (0.41) CYP1A2ALDH1A1RAB9A
SCHEMBL12465690 0.77 ALDH1A1 (0.48) PTGER1SMPD1ALDH1A1RAB9A
SCHEMBL32675245 0.77 MAOB (0.47) HDAC1HDAC8HDAC6CYP1A2ALDH1A1
SCHEMBL30134395 0.77 SLC6A4 (0.53) LMNASLC6A4PTGER1CCR5HTR2C
SCHEMBL22116580 0.76 MRGPRX4 (0.48) LMNALRRK2PTGER1RAB9A
SCHEMBL30504080 0.75 SLC6A4 (0.59) SLC6A4CCR5SMPD1HDAC1HDAC8
SCHEMBL1447864 0.75 SLC6A4 (0.59) SLC6A4CCR5SMPD1HDAC1HDAC8
SCHEMBL24233947 0.75 MRGPRX4 (0.44) LMNALRRK2PTGER1ALDH1A1RAB9A
SCHEMBL368071 0.75 SLC6A4 (0.66) LMNASLC6A4PTGER1CCR5USP28
SCHEMBL31644088 0.75 SLC6A4 (0.66) LMNASLC6A4PTGER1CCR5USP28

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-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 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-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK USP2 4556/4885LMNA 4345/4885SLC6A4 4857/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK USP2 4556/4885LMNA 4345/4885SLC6A4 4857/4885

“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.