SCHEMBL876547

SCHEMBL876547

c1ccc(COOOCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
IDO1 P14902 2/20 0.55
AGXT P21549 1/20 0.52
CALM1 P0DP23 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL177923 0.88 TSHR (0.67) TSHRIDO1AGXTCALM1ALDH1A1
Water SCHEMBL28419682 0.85 TSHR (0.63) TSHRIDO1AGXTCALM1ALDH1A1
SCHEMBL4363419 0.85 TSHR (0.63) TSHRIDO1AGXTCALM1ALDH1A1
SCHEMBL14500132 0.85 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL10942723 0.83 TSHR (0.48) TSHRIDO1AGXTSLC6A2SLC6A3
SCHEMBL3697981 0.79 ALDH1A1 (0.48) TSHRIDO1ALDH1A1SLC6A2SLC6A3
SCHEMBL26656 0.78 TSHR (0.55) TSHRIDO1AGXTCALM1ALDH1A1
SCHEMBL11513295 0.78 TSHR (0.55) TSHRIDO1AGXTCALM1ALDH1A1
SCHEMBL7925639 0.78 TSHR (0.55) TSHRIDO1AGXTCALM1ALDH1A1
SCHEMBL7915801 0.78 TSHR (0.55) TSHRIDO1AGXTCALM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183654-A A kind of preparation method of fluorine-containing cyanate ester resin 扬州天启新材料股份有限公司 2019-08-30 CN claimed
WO-2025126926-A1 LIPASE VARIANT 花王株式会社 2025-06-19 WO disclosed
WO-2025126927-A1 LIPASE STABILITY IMPROVEMENT METHOD 花王株式会社 2025-06-19 WO disclosed
CN-118613164-A Enveloped virus inactivating agent 花王株式会社 2024-09-06 CN disclosed
WO-2024177042-A1 LIPASE VARIANT 花王株式会社 2024-08-29 WO disclosed
WO-2024177043-A1 LIPASE VARIANT 花王株式会社 2024-08-29 WO disclosed
WO-2023230609-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 WO disclosed
WO-2023230612-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 WO disclosed
US-20220177397-A1 PROCESSES FOR PREPARING CALIXARENES SI GROUP, INC. 2022-06-09 US disclosed
US-11225450-B2 Processes for preparing calixarenes SI GROUP, INC. (US) 2022-01-18 US disclosed
WO-2007081540-A2 TYLOPHORINE ANALOGS AS ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-07-19 WO disclosed
CN-1434795-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2003-08-06 CN disclosed
US-6003987-A Ink set recording apparatus and method using ink set having a dye that becomes insoluble when mixed with another dye CANON KABUSHIKI KAISHA (JP) 1999-12-21 US disclosed
US-4785012-A OXAZOLE DERIVATIVES CONTAINING ALCOHOLS OR ESTERS SYNTEX CORPORATION (US) 1988-11-15 US disclosed
US-4427676-A Thiomorpholine derivatives JOHN WYETH & BROTHER LTD. (GB) 1984-01-24 US disclosed
US-4163015-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1979-07-31 US disclosed
US-4138405-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-06 US disclosed
US-4048194-A THROMBOXANE B2, PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-09-13 US disclosed
US-4020173-A 4α,6-Dihydroxy-2β-carboxaldehyde-3α-tetrahydropyranacetic acid γ-lactone, 6-alkyl ethers THE UPJOHN COMPANY (US) 1977-04-26 US disclosed
US-4018804-A PROSTAGLANDINS AND DERIVATIVES THE UPJOHN COMPANY (US) 1977-04-19 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 (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-11225450-B2 Processes for preparing calixarenes CALU, CALD1, CALR TSHR 4680/4885IDO1 2577/4885AGXT 721/4885
US-20220177397-A1 PROCESSES FOR PREPARING CALIXARENES CALU, CALD1, CALR TSHR 4680/4885IDO1 2577/4885AGXT 721/4885

“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.