SCHEMBL418463

SCHEMBL418463

COC(=O)[C@H]1CC=CC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
PRNP P04156 1/20 0.44
MAPK10 P53779 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM4 Q14833 1/20 0.43
SHMT2 P34897 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
SCHEMBL19730192 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL417370 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL5823247 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL3739039 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL5768836 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1RXFP1POLBKDM4E
SCHEMBL8246813 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10
SCHEMBL418068 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10
SCHEMBL9308973 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10
SCHEMBL13198671 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10
SCHEMBL418070 0.91 GAA (0.41) ALDH1A1NPSR1RXFP1POLBHSD17B10

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 145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008991-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
CN-119569706-A Therapeutic compounds 希四克斯探索有限公司 2025-03-07 CN disclosed
CN-112996785-B Therapeutic compounds 希四克斯探索有限公司 2024-12-06 CN disclosed
US-20240228508-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2024-07-11 US disclosed
US-11851442-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE CORPORATION (US) 2023-12-26 US disclosed
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed
CN-115103907-A Compositions and methods for enhancing immune activity 金橘生物科技公司 2022-09-23 CN disclosed
US-20220002286-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2022-01-06 US disclosed
US-20210387998-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORPORATION 2021-12-16 US disclosed
US-6613876-B1 Covalently linking subunit of given formula to a plurality of separable solid substrates; deprotecting; used for generating combinatorial libraries WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-09-02 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 US disclosed
US-20030119189-A1 Method for delivery of molecules to intracellular targets NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-06-26 US disclosed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US disclosed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US disclosed
US-6060585-A β-polypeptide foldamers of well-defined secondary structure WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-05-09 US disclosed
EP-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 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 (8 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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ALDH1A1 1869/4885NPSR1 211/4885RXFP1 456/4885
US-20240228508-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 4431/4885NPSR1 4683/4885RXFP1 4588/4885
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 ALDH1A1 1051/4885NPSR1 507/4885RXFP1 326/4885
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 ALDH1A1 750/4885NPSR1 1099/4885RXFP1 504/4885
US-20030119189-A1 Method for delivery of molecules to intracellular targets DNPEP, SLC7A1, PHAX ALDH1A1 3895/4885NPSR1 514/4885RXFP1 1534/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 ALDH1A1 307/4885NPSR1 2304/4885RXFP1 3356/4885
US-11851442-B2 Tricyclic fused thiophene derivatives as JAK inhibitors JAK1, JAK3, JAK2 ALDH1A1 4431/4885NPSR1 4683/4885RXFP1 4588/4885
US-20210387998-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 4431/4885NPSR1 4683/4885RXFP1 4588/4885

“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.