SCHEMBL96645

SCHEMBL96645

[CH2]c1cc(O)c(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 2/20 0.47
SELP P16109 2/20 0.47
SELE P16581 1/20 0.47
LMNA P02545 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA6 P23280 2/20 0.41
FUT7 Q11130 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
FUT4 P22083 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL20239110 0.80 CYP3A4 (0.43) TDP1ALDH1A1HPGDHSD17B10CA1
SCHEMBL561678 0.76 PTGS2 (0.50) LMNATDP1ALDH1A1KDM4EHPGD
SCHEMBL1521865 0.73 ESR1 (0.37) CA1CA6CA12CA3CA5A
SCHEMBL7296012 0.71 LMNA (0.48) SELLSELPSELELMNATDP1
SCHEMBL15769323 0.71 GPR35 (0.62) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25183526 0.69 SELL (0.53) SELLSELPSELELMNATDP1
SCHEMBL67497 0.69 BACE1 (0.54) SELLSELPSELELMNATDP1
SCHEMBL8614617 0.67
SCHEMBL3293550 0.67 CA1 (0.58) SELLSELPSELELMNAALDH1A1
SCHEMBL188272 0.67 TDP1 (0.58) TDP1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 EP claimed
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2023-05-09 US claimed
EP-3615535-B1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIV PALACKEHO (CZ) 2022-06-15 EP claimed
WO-2022012702-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2022-01-20 WO claimed
US-20200157105-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-05-21 US claimed
EP-3615535-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS Univerzita Palackého v Olomouci (CZ) 2020-03-04 EP claimed
WO-2018196893-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-11-01 WO claimed
CN-102659837-B Solanesol phosphamide derivatives and their preparation method and use UNIV SHIJIAZHUANG 2015-07-15 CN claimed
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 EP claimed
US-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US claimed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 EP claimed
EP-4373526-A1 COMPOSITIONS AND USES OF TRIGLYCERIDE MIMETICS TO TARGET SELECTIVELY MICROBIAL LIPASE Excella Bioscientific Ltd (IL) 2024-05-29 EP disclosed
WO-2024100140-A1 METHOD FOR PRODUCING EPIGALLOCATECHIN GALLATE MONOGLUCOSIDE GIVAUDAN SA (CH) 2024-05-16 WO disclosed
WO-2024083721-A1 A METHOD OF PROVIDING HIGH SPF TO A TOPICAL SURFACE OF A BODY UNILEVER IP HOLDINGS B.V. (NL) 2024-04-25 WO disclosed
CN-113226476-B Novel method and cosmetic composition for luster and blurriness 联合利华知识产权控股有限公司 2024-04-12 CN disclosed
US-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 EP disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 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-20200157105-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS ADORA2A, UNG, P2RY6 SELL 3484/4885SELP 2820/4885SELE 3184/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 SELL 3484/4885SELP 2820/4885SELE 3184/4885

“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.