SCHEMBL8046590

SCHEMBL8046590

COc1ccc(C=Cc2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 1.00
KDM4E B2RXH2 3/20 1.00
CYP2D6 P10635 2/20 1.00
HPGD P15428 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
CYP3A4 P08684 2/20 1.00
NPC1 O15118 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
RAB9A P51151 1/20 1.00
CYP1A1 P04798 6/20 0.71
CYP1B1 Q16678 6/20 0.71
ROCK2 O75116 1/20 0.65
MAP4K4 O95819 1/20 0.65
PRKACA P17612 1/20 0.65
ROCK1 Q13464 1/20 0.65
DYRK1A Q13627 1/20 0.65
NTRK3 Q16288 1/20 0.65
PKN2 Q16513 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65

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
SCHEMBL8050491 1.00 CYP1A2 (1.00) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL29069514 0.90 CYP1A2 (0.81) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL29069510 0.90 CYP1A2 (0.81) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL11090821 0.87 CYP1A2 (0.77) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL14950253 0.86 RELA (0.81) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL631998 0.86 RELA (0.81) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL13790336 0.86 RELA (0.81) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL699458 0.86 RELA (0.81) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL4881152 0.86 RELA (0.81) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2
SCHEMBL699457 0.86 RELA (0.81) CYP1A2KDM4ECYP2D6HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119792190-A Multifunctional nano-enzyme composite hydrogel and preparation method and application thereof 安徽中医药大学 2025-04-11 CN claimed
CN-119792190-A Multifunctional nano-enzyme composite hydrogel and preparation method and application thereof 安徽中医药大学 2025-04-11 CN disclosed
EP-3674381-B1 ORGANIC OPTICAL MATERIAL JAPAN SCIENCE & TECH AGENCY (JP) 2023-05-10 EP disclosed
US-20200284946-A1 ORGANIC OPTICAL MATERIAL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-09-10 US disclosed
EP-3674381-A1 ORGANIC OPTICAL MATERIAL Japan Science and Technology Agency (JP) 2020-07-01 EP disclosed
US-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 US disclosed
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 US disclosed
WO-2015048246-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-02 WO disclosed
US-6020436-A GRAFT POLYMERIZATION THE CHROMALINE CORPORATION (US) 2000-02-01 US disclosed
US-5506089-A CONTAINING HETEROCYCLIC QUATERNARY PENDANT GROUP THE CHROMALINE CORPORATION (US) 1996-04-09 US disclosed
US-5360864-A Process for preparation of photosensitive composition ULANO CORPORATION (US) 1994-11-01 US disclosed
US-5358999-A Polyvinyl acetals ULANO CORPORATION (US) 1994-10-25 US disclosed
US-5330877-A Photoresists based on quaternary ammonium derivatives of an acetal resin ULANO CORPORATION (US) 1994-07-19 US disclosed
US-5326669-A Pyridinium-containing polyvinyl acetals ULANO CORPORATION (US) 1994-07-05 US disclosed
EP-0290591-B1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK PATENT GmbH (DE) 1991-03-13 EP disclosed
US-4925770-A COATING, PRIOR TO LIGHT EXPOSURE OF PHOTORESIST LAYER, A PHOTO-BLEACHABLE COMPOUND AND A WATER SOLUBLE POLYMER DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1990-05-15 US disclosed
EP-0246885-A2 A contrast-enhancing agent for photolithography Japan as represented by Director-General, Agency of Industrial Science and Technology (JP) 1987-11-25 EP disclosed
US-3965102-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-06-22 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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB CYP1A2 2265/4885KDM4E 1583/4885CYP2D6 3180/4885
US-20200284946-A1 ORGANIC OPTICAL MATERIAL SLC43A1, SLCO4C1, SLCO1A2 CYP1A2 2498/4885KDM4E 3282/4885CYP2D6 2233/4885

“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.