SCHEMBL58988

SCHEMBL58988

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CA9 Q16790 1/20 0.56
PTGS2 P35354 1/20 0.52
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TUBB4A P04350 5/20 0.43
TUBB P07437 5/20 0.43
TUBA3C P0DPH7 5/20 0.43
TUBA1B P68363 5/20 0.43
TUBA4A P68366 5/20 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
SCHEMBL27736458 0.97 ACHE (0.56) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL5241628 0.85 PTGS2 (0.50) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL1616051 0.84 TSHR (0.50) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL5237998 0.79 HTR2A (0.56) ACHEMAPTPTGS2HTR2AHTR2C
SCHEMBL27661745 0.78 RXFP1 (0.41) ACHECYP3A4MAPTCA9ALDH1A1
SCHEMBL8188932 0.78 HTR7 (0.49) ACHEMAPTPTGS2KDM4EALDH1A1
SCHEMBL721861 0.77 ACHE (0.65) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL3549185 0.76 MAPT (0.46) ACHECYP3A4MAPTKDM4EALDH1A1
SCHEMBL153766 0.76 PKM (0.52) CYP3A4MAPTCA9PTGS2CYP1A2
SCHEMBL27602257 0.76 MAPT (0.41) ACHECYP3A4MAPTPTGS2ALDH1A1

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 1440 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
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
CN-114805367-B Triazole pyrimidine derivative and preparation method and application thereof 郑州大学 2023-04-07 CN 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-107163047-B Sophoridine amine derivative and preparation method and application thereof 中国医学科学院医药生物技术研究所 2021-04-23 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
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 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-0038160-B1 QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-19 EP claimed
US-4388312-A HYPOTENSIVE AGENTS, ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-06-14 US claimed
EP-0025692-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP claimed
US-4332796-A MICROCRYSTALS COATED WITH MIXTURES OF PHOSPHOLIPIDS AND NONIONIC SURFACTANTS LABORATORIOS BAGO S.A. (AR) 1982-06-01 US claimed
EP-0038160-A1 Quinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-10-21 EP claimed
EP-0025692-A1 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP claimed
US-4235906-A MUSCLE RELAXANTS MASSACHUSETTS GENERAL HOSPITAL (US) 1980-11-25 US claimed
US-4218560-A ANIMAL GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1980-08-19 US claimed
US-4075340-A ANTIINFLAMMATORY, ANTIARRYTHMIC, ANTICOAGULANTS PARCOR (FR) 1978-02-21 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US 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-20200157105-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS ADORA2A, UNG, P2RY6 ACHE 174/4885CYP3A4 3871/4885MAPT 1056/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 ACHE 174/4885CYP3A4 3871/4885MAPT 1056/4885
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 ACHE 4524/4885CYP3A4 2689/4885MAPT 4821/4885

“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.