SCHEMBL2948397

SCHEMBL2948397

COc1cccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.44
▸ NR1I2 O75469 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ VDR P11473 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ NR1I3 Q14994 1/20 0.43
▸ MAPK13 O15264 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL2942313 0.88 ABL1 (0.36) AURKANR1I2CYP1A2VDRCYP2C9
SCHEMBL9590022 0.85 NPC1 (0.40) AURKAALDH1A1LMNAKDM4ENPC1
SCHEMBL17687651 0.84 AURKA (0.46) AURKANR1I2CYP1A2VDRCYP2C9
SCHEMBL27968431 0.84 NPC1 (0.40) AURKAALDH1A1LMNAKDM4ENPC1
SCHEMBL27910482 0.84 NPC1 (0.40) AURKAALDH1A1LMNAKDM4ENPC1
SCHEMBL28098901 0.84 NPC1 (0.40) AURKAALDH1A1LMNAKDM4ENPC1
SCHEMBL28442526 0.84 NPC1 (0.40) AURKAALDH1A1LMNAKDM4ENPC1
SCHEMBL28843869 0.84 NPC1 (0.40) AURKAALDH1A1LMNAKDM4ENPC1
SCHEMBL8003382 0.84 NPC1 (0.40) AURKAALDH1A1LMNAKDM4ENPC1
SCHEMBL28249687 0.84 NPC1 (0.40) AURKAALDH1A1LMNAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403780-A Photosensitizer material, preparation method and application thereof in preparation of polymer 合肥工业大学 2022-11-29 — — CN claimed
CN-115403780-B Photosensitizer material, preparation method and application thereof in preparation of polymer 合肥工业大学 2024-06-14 — — CN disclosed
CN-113474383-B Free radical polymerizable composition 波林复合材料美国股份有限公司 2023-10-31 — — CN disclosed
CN-115403780-A Photosensitizer material, preparation method and application thereof in preparation of polymer 合肥工业大学 2022-11-29 — — CN disclosed
EP-2379109-B1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE BAUSCH HEALTH COMPANIES INC (CA) 2020-10-07 — — EP disclosed
CN-110731961-A Metal organic framework, pharmaceutical preparation and use thereof in preparing medicament 芝加哥大学 2020-01-31 — — CN disclosed
CN-107001031-B Metal organic framework, pharmaceutical preparation and application of pharmaceutical preparation in preparation of drugs 芝加哥大学 2019-11-15 — — CN disclosed
CN-107001031-A Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy and any combination thereof 芝加哥大学 2017-08-01 — — CN disclosed
EP-1357912-B9 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-06-13 — — EP disclosed
CN-102325550-A Combination of photodynamic therapy and anti-VEGF agents in the treatment of unwanted choroidal neovasculature QUADRA LOGIC TECH INC 2012-01-18 — — CN disclosed
US-6599891-B2 Administering to the subject an amount of a photosensitizer (PS) sufficient to allow said photosensitizer to localize in lesion; irradiating said lesion with light having a wavelength absorbed by said PS QLT INC. (CA) 2003-07-29 — — US disclosed
US-20030099596-A1 Treatment of macular edema BAUSCH HEALTH IRELAND LIMITED (IE) 2003-05-29 — — US disclosed
US-20030087889-A1 Photodynamic therapy of occult age-related macular degeneration BAUSCH HEALTH COMPANIES INC. (CA) 2003-05-08 — — US disclosed
US-20030083649-A1 Method for reducing or preventing PDT related inflammation VALEANT SP. Z.O.O. (PL) 2003-05-01 — — US disclosed
US-20020183302-A1 Method to prevent vision loss TECHNOLAS PERFECT VISION GMBH (DE) 2002-12-05 — — US disclosed
US-20020173832-A1 Reduced fluence rate PDT TECHNOLAS PERFECT VISION GMBH (DE) 2002-11-21 — — US disclosed
US-20020156062-A1 Drug delivery system for hydrophobic drugs BAUSCH HEALTH COMPANIES INC. (CA) 2002-10-24 — — US disclosed
US-20020155089-A1 Drug delivery systems for photodynamic therapy UNIVERSITY OF BRITISH COLUMBIA, THE (CA) 2002-10-24 — — US disclosed
US-20020061330-A1 Supports for photosensitizer formulations BRITISH COLUMBIA, THE UNIVERSITY OF (CA) 2002-05-23 — — US disclosed
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors QLT INC. (CA) 2002-02-21 — — 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 (7 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-20030099596-A1 Treatment of macular edema VEGFA, PPOX, FLT4 AURKA 2728/4885NR1I2 2542/4885CYP1A2 2395/4885
US-20020183302-A1 Method to prevent vision loss VEGFA, ALDH1A2, PDE6C AURKA 4774/4885NR1I2 4026/4885CYP1A2 3935/4885
US-20020156062-A1 Drug delivery system for hydrophobic drugs LIPA, MLEC, ABCG2 AURKA 2041/4885NR1I2 1963/4885CYP1A2 1446/4885
US-20020155089-A1 Drug delivery systems for photodynamic therapy PIN1, PPOX, DHFR AURKA 958/4885NR1I2 2890/4885CYP1A2 284/4885
US-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA AURKA 2544/4885NR1I2 3033/4885CYP1A2 1068/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 AURKA 1900/4885NR1I2 3231/4885CYP1A2 3678/4885
US-20030087889-A1 Photodynamic therapy of occult age-related macular degeneration ALDH1A2, AGER, CRY2 AURKA 1286/4885NR1I2 2651/4885CYP1A2 3326/4885

“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.

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