SCHEMBL22129751

SCHEMBL22129751

NCCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
PIN1 Q13526 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRM1 Q13255 1/20 0.51

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
SCHEMBL22129752 1.00 FOLH1 (0.55) FOLH1CA12CA1CA2CA3
SCHEMBL24597922 0.92 HRH4 (0.50) FOLH1CA12CA1CA2CA3
SCHEMBL24597921 0.89 HRH4 (0.50) FOLH1CA12CA1CA2CA3
SCHEMBL24597860 0.87 FNTA (0.44) FOLH1CA12CA1CA2CA3
SCHEMBL24597915 0.84 HRH4 (0.55) PIN1MCHR1ITGB3ITGA2BMME
SCHEMBL4599159 0.83 FOLH1 (0.51) FOLH1TGM2NTMT1MMEACE
SCHEMBL4599154 0.83 FOLH1 (0.51) FOLH1TGM2NTMT1MMEACE
SCHEMBL10341750 0.82 FOLH1 (0.55) FOLH1CA1CA2ITGB3ITGA2B
SCHEMBL10341754 0.82 FOLH1 (0.55) FOLH1CA1CA2ITGB3ITGA2B
SCHEMBL9852754 0.82 PIN1 (0.57) PIN1MEN1KMT2ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119322142-A Method for detecting sensitization of cosmetics containing hexyl cinnamaldehyde 深圳市药品检验研究院(深圳市医疗器械检测中心) 2025-01-17 CN claimed
EP-3845887-B1 SKIN SENSITIZATION MEASURING METHOD FUJIFILM CORP (JP) 2024-05-01 EP claimed
EP-4130739-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2023-02-08 EP claimed
US-20230024686-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM CORPORATION (JP) 2023-01-26 US claimed
EP-3901620-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD FUJIFILM Corporation (JP) 2021-10-27 EP claimed
EP-3845887-A1 SKIN SENSITIZATION MEASURING METHOD AND SKIN SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2021-07-07 EP claimed
US-20210181109-A1 METHOD FOR DETERMINING SKIN ALLERGENICITY AND REAGENT FOR DETERMINING SKIN ALLERGENICITY FUJIFILM CORPORATION (JP) 2021-06-17 US claimed
WO-2020129509-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD 富士フイルム株式会社 2020-06-25 WO claimed
CN-119322142-A Method for detecting sensitization of cosmetics containing hexyl cinnamaldehyde 深圳市药品检验研究院(深圳市医疗器械检测中心) 2025-01-17 CN disclosed
EP-3845887-B1 SKIN SENSITIZATION MEASURING METHOD FUJIFILM CORP (JP) 2024-05-01 EP disclosed
EP-4234537-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION FUJIFILM Corporation (JP) 2023-08-30 EP disclosed
US-20230258569-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION FUJIFILM CORPORATION (JP) 2023-08-17 US disclosed
EP-4130739-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2023-02-08 EP disclosed
US-20230024686-A1 METHOD FOR MEASURING RESPIRATORY SENSITIZATION AND RESPIRATORY SENSITIZATION MEASURING REAGENT FUJIFILM CORPORATION (JP) 2023-01-26 US disclosed
US-20220214276-A1 SKIN SENSITIZATION MEASURING REAGENT, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND FUJIFILM CORPORATION (JP) 2022-07-07 US disclosed
EP-3901620-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD FUJIFILM Corporation (JP) 2021-10-27 EP disclosed
EP-3845887-A1 SKIN SENSITIZATION MEASURING METHOD AND SKIN SENSITIZATION MEASURING REAGENT FUJIFILM Corporation (JP) 2021-07-07 EP disclosed
US-20210181109-A1 METHOD FOR DETERMINING SKIN ALLERGENICITY AND REAGENT FOR DETERMINING SKIN ALLERGENICITY FUJIFILM CORPORATION (JP) 2021-06-17 US disclosed
WO-2020129509-A1 PHOTOTOXICITY OR PHOTOALLERGY MEASUREMENT METHOD AND REAGENT FOR USE IN SAID MEASUREMENT METHOD 富士フイルム株式会社 2020-06-25 WO 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-20230258569-A1 REAGENT FOR MEASURING SKIN SENSITIZATION, COMPOUND, AND METHOD FOR MEASURING SKIN SENSITIZATION TST, CUTA, HNMT FOLH1 1857/4885CA12 180/4885CA1 1389/4885

“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.