SCHEMBL746464

SCHEMBL746464

O=C([N]C1CCCCC1)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
EPHX2 P34913 1/20 0.54
SIGMAR1 Q99720 3/20 0.48
MMP2 P08253 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MMP8 P22894 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MAPK1 P28482 1/20 0.45
DUSP3 P51452 1/20 0.45

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
SCHEMBL7611700 0.79 EPHX1 (0.61) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL966980 0.76 EPHX1 (0.56) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL3771418 0.76 EPHX1 (0.34) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL28529404 0.74 EPHX1 (0.54) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL8305980 0.73 EPHX1 (0.52) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL10442649 0.73 EPHX1 (0.31) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL967797 0.73 EPHX1 (0.52) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL14794983 0.73 EPHX1 (0.52) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL7314345 0.71 EPHX1 (0.47) EPHX1RAB9AKDM4EALDH1A1CYP3A4
SCHEMBL966654 0.71 EPHX1 (0.50) EPHX1NPC1SMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0025692-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP claimed
EP-0025692-A1 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP claimed
CN-109476841-B Novel polymer derivative and novel polymer derivative imaging probe using same 日本化药株式会社 2021-08-24 CN disclosed
CN-107249589-B Physiologically active substance-binding block copolymer 日本化药株式会社 2021-06-08 CN disclosed
US-10973762-B2 Active-targeting-type polymer derivative, composition containing said polymer derivative, and uses of said polymer derivative and said composition NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2021-04-13 US disclosed
US-10869937-B2 Polymer derivatives, and novel polymer derivative imaging probe using same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-12-22 US disclosed
EP-3263107-B1 BLOCK COPOLYMER CONJUGATE OF PHYSIOLOGICALLY ACTIVE SUBSTANCE NIPPON KAYAKU KK (JP) 2020-11-11 EP disclosed
US-10814016-B2 2020-10-27 US disclosed
US-20190307905-A1 Novel Polymer Derivatives, And Novel Polymer Derivative Imaging Probe Using Same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-10-10 US disclosed
US-20190262269-A1 Active-Targeting-Type Polymer Derivative, Composition Containing Said Polymer Derivative, And Uses Of Said Polymer Derivative And Said Composition NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-08-29 US disclosed
US-10357573-B2 Block copolymer conjugate of physiologically active substance NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-07-23 US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 EP disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed
US-4595696-A Antiinflammatory agents; amide substituted phenyl ethers or thioethers USV PHARMACEUTICAL CORP. (US) 1986-06-17 US disclosed
US-4533554-A ANALGESICS, HYPOTENSIVE AGENTS, ANTI-INFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-08-06 US disclosed
US-4388312-A HYPOTENSIVE AGENTS, ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-06-14 US disclosed
EP-0025692-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP disclosed
EP-0025692-A1 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP 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 (6 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-20190307905-A1 Novel Polymer Derivatives, And Novel Polymer Derivative Imaging Probe Using Same MPI, ACP1, PDAP1 EPHX1 3995/4885NPC1 3687/4885SMN1; SMN2 2091/4885
US-10869937-B2 Polymer derivatives, and novel polymer derivative imaging probe using same ERBB3, DDOST, EGFR EPHX1 4185/4885NPC1 3627/4885SMN1; SMN2 2043/4885
US-10973762-B2 Active-targeting-type polymer derivative, composition containing said polymer derivative, and uses of said polymer derivative and said composition CD68, HPGDS, MYD88 EPHX1 2390/4885NPC1 2814/4885SMN1; SMN2 3923/4885
US-20190262269-A1 Active-Targeting-Type Polymer Derivative, Composition Containing Said Polymer Derivative, And Uses Of Said Polymer Derivative And Said Composition CD68, HPGDS, MYD88 EPHX1 2390/4885NPC1 2814/4885SMN1; SMN2 3923/4885
US-10814016-B2 ERBB3, ERBB2, EGFR EPHX1 3691/4885NPC1 3535/4885SMN1; SMN2 849/4885
US-10357573-B2 Block copolymer conjugate of physiologically active substance TACR1, PLAUR, LNPEP EPHX1 2636/4885NPC1 3884/4885SMN1; SMN2 2711/4885

“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.