SCHEMBL258124

SCHEMBL258124

[CH2]c1ccc(OC)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
AOX1 Q06278 1/20 0.52
CYP1A2 P05177 2/20 0.50
MAPT P10636 1/20 0.50
TUBB1 Q9H4B7 8/20 0.49
TUBB4A P04350 4/20 0.49
TUBB P07437 4/20 0.49
TUBA3C P0DPH7 4/20 0.49
TUBA1B P68363 4/20 0.49
TUBA4A P68366 4/20 0.49
TUBB4B P68371 4/20 0.49
TUBB3 Q13509 4/20 0.49
TUBB2A Q13885 4/20 0.49
TUBB8 Q3ZCM7 4/20 0.49
TUBA3E Q6PEY2 4/20 0.49
TUBA1A Q71U36 4/20 0.49
TUBA1C Q9BQE3 4/20 0.49
TUBB6 Q9BUF5 4/20 0.49
TUBB2B Q9BVA1 4/20 0.49
TSHR P16473 2/20 0.48

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
SCHEMBL139963 0.82 MAOB (0.61) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL27090 0.78 CA2 (0.54) ALDH1A1CYP1A2TUBB1TUBB4ATUBB
SCHEMBL2811538 0.76 CA2 (0.41) ALDH1A1CYP1A2MAPTTSHRCYP3A4
SCHEMBL68212 0.76 MAOB (0.67) ALDH1A1AOX1CYP1A2MAPTTUBB1
SCHEMBL29692356 0.76 MAOB (0.67) ALDH1A1AOX1CYP1A2MAPTTUBB1
SCHEMBL581508 0.74 TUBB4A (0.63) ALDH1A1AOX1CYP1A2MAPTTUBB1
SCHEMBL352907 0.74 MAPT (0.47) ALDH1A1MAPTTSHRCYP3A4ALOX15
SCHEMBL561678 0.74 PTGS2 (0.50) ALDH1A1CYP1A2MAPTTUBB1CYP3A4
SCHEMBL29398758 0.74 ACHE (0.62) ALDH1A1AOX1CYP1A2MAPTTUBB1
SCHEMBL218637 0.74 ACHE (0.62) ALDH1A1AOX1CYP1A2MAPTTUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707899-B Preparation method of quininol 东莞市东阳光动物保健药品有限公司 2023-10-17 CN claimed
CN-116640106-A Phenylpiperazine compound and preparation method and application thereof 郑州大学 2023-08-25 CN claimed
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 EP claimed
WO-2023078482-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-05-11 WO 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
CN-112707899-A Preparation method of quininol 东莞市东阳光动物保健药品有限公司 2021-04-27 CN 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
EP-1682544-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-07-26 EP claimed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 WO claimed
EP-1644365-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS Biofocus Discovery Ltd (GB) 2006-04-12 EP claimed
US-20050187240-A1 Aaptamine and isoaaptamine and structural modifications thereof THE ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF THE ARIZONA STATE UNIVERSITY 2005-08-25 US claimed
WO-2005048945-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO claimed
WO-2005003101-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS BIOFOCUS DISCOVERY LIMITED (GB) 2005-01-13 WO claimed
EP-0941998-B1 3,6-ketal macrolide antibiotics PFIZER PROD INC (US) 2004-09-01 EP claimed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 US claimed
CN-1244532-A 3,6-aldehyde acetal and enol ether large ring lactone vitamine PFIZER PRODUCTS CO (US) 2000-02-16 CN claimed
EP-0941998-A2 3,6-ketal and enol ether macrolide antibiotics Pfizer Products Inc. (US) 1999-09-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050187240-A1 Aaptamine and isoaaptamine and structural modifications thereof HNMT, INMT, PNMT ALDH1A1 878/4885AOX1 2232/4885CYP1A2 2870/4885
US-20200157105-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS ADORA2A, UNG, P2RY6 ALDH1A1 469/4885AOX1 115/4885CYP1A2 1744/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 ALDH1A1 469/4885AOX1 115/4885CYP1A2 1744/4885

“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.