SCHEMBL29956883

SCHEMBL29956883

OB(O)c1ccc2c(c1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ENPP2 Q13822 4/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
TTR P02766 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL442154 1.00 ALDH1A1 (0.45) ALDH1A1CA1CA2ENPP2CA12
SCHEMBL4027923 0.95 ADRA2A (0.42) ALDH1A1CA1CA2ENPP2ADRA2A
SCHEMBL12759201 0.91 CA2 (0.43) ALDH1A1CA1CA2ENPP2CA7
SCHEMBL8569648 0.79 DRD1 (0.50)
SCHEMBL13356016 0.78 CA1 (0.34) CA1CA2ENPP2TTR
SCHEMBL2627980 0.77 MAOA (0.61) MEN1KMT2A
SCHEMBL2627981 0.77 MAOA (0.48) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL29951836 0.76 ENPP2 (0.39) ALDH1A1CA1CA2ENPP2TTR
SCHEMBL3101723 0.74 NPC1 (0.42) ALDH1A1CA1CA2ENPP2NPC1
SCHEMBL6293921 0.74 RXRA (0.40) CA1CA2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431358-A Pyrrolopyridines, compositions thereof and their use in medicine 中国科学院上海药物研究所 2025-02-14 CN disclosed
CN-115362153-B Azaspiro compounds as monoacylglycerol lipase modulators 詹森药业有限公司 2025-01-07 CN disclosed
US-20240293559-A1 SHP2 inhibitor, pharmaceutical composition containing the same and application thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2024-09-05 US disclosed
EP-4417600-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2024-08-21 EP disclosed
CN-118076592-A SHP2 inhibitor, pharmaceutical composition comprising same and use thereof 北京泰德制药股份有限公司 2024-05-24 CN disclosed
CN-115362153-A Aza spiro rings as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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 (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-20240293559-A1 SHP2 inhibitor, pharmaceutical composition containing the same and application thereof PTPN1, PTPN5, PTPN18 ALDH1A1 3774/4885CA1 1543/4885CA2 477/4885

“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.