SCHEMBL4557746

SCHEMBL4557746

O=C(O)Cc1cccc(Cc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.64
PLA2G10 O15496 2/20 0.59
PLA2G2A P14555 2/20 0.59
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
ABCC4 O15439 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HNF4A P41235 1/20 0.50
CALM1 P0DP23 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
IDH1 O75874 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RGS12 O14924 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 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
Acetic Acid SCHEMBL9783357 0.94 AKR1B1 (0.57) AKR1B1PLA2G10PLA2G2ALMNAGAA
SCHEMBL70565 0.89 AKR1B1 (0.71) AKR1B1LMNAGAATSHRABCC4
Hydrochloric Acid SCHEMBL8922940 0.87 AKR1B1 (0.68) AKR1B1LMNAGAATSHRABCC4
Bromide SCHEMBL2068601 0.85 PLA2G2A (0.54) AKR1B1PLA2G10PLA2G2ALMNAGAA
SCHEMBL11143386 0.85 AKR1B1 (0.55) AKR1B1PLA2G10PLA2G2ALMNAGAA
SCHEMBL5696415 0.85 AKR1B1 (0.81) AKR1B1PLA2G10PLA2G2ALMNAGAA
SCHEMBL7557354 0.84 PLA2G2A (0.53) PLA2G10PLA2G2ALMNAMTNR1AMTNR1B
SCHEMBL4402323 0.83 AKR1B1 (0.62) AKR1B1LMNAGAATSHRABCC4
SCHEMBL9566231 0.82 AKR1B1 (0.52) AKR1B1PLA2G10PLA2G2ALMNAGAA
SCHEMBL13971231 0.82 CALM1 (0.75) PLA2G10PLA2G2ALMNAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105245-A1 METHODS FOR TREATING MACULAR EDEMA AND OCULAR ANGIOGENESIS USING AN ANTI-INFLAMMATORY AGENT AND A RECEPTOR TYROSINE KINASE INHIBITOR NOVARTIS AG (CH) 2009-04-23 US disclosed
EP-1309323-B1 TREATMENT OF ANGIOGENESIS-RELATED DISORDERS USING BENZOYL PHENYLACETIC ACID DERIVATIVES ALCON INC (CH) 2006-11-15 EP disclosed
US-20050143468-A1 Method of treating vascular endothelial growth factor mediated vascular disorders ALCON, INC. (CH) 2005-06-30 US disclosed
EP-1507522-A2 METHOD OF TREATING VASCULAR ENDOTHELIAL GROWTH FACTOR MEDIATED VASCULAR DISORDERS USING AMFENAC OR NEPAFENAC Alcon, Inc. (CH) 2005-02-23 EP disclosed
US-20040132773-A1 Method of treating neurodgenerative disorders of the retina and optic nerve head ALCON, INC. (CH) 2004-07-08 US disclosed
WO-2003092669-A2 METHOD OF TREATING VASCULAR ENDOTHELIAL GROWTH FACTOR MEDIATED VASCULAR DISORDERS USING AMFENAC OR NEPAFENAC ALCON, INC. (CH) 2003-11-13 WO disclosed
US-6646003-B2 Topically administering to the eye of the patient a therapeutically effective amount of flurbiprofen amide derivative and ketorolac amide derivative to treat ophthalmic angiogenesis- related disorder of the posterior segment of eye ALCON, INC. (CH) 2003-11-11 US disclosed
US-20030207941-A1 Method of treating vascular endothelial growth factor mediated vascular disorders ALCON, INC. (CH) 2003-11-06 US disclosed
US-6638976-B2 3-benzoylphenylacetic acids and derivatives, including nepafenac, to treat neurodegenerative retinal disorders ALCON, INC. (CH) 2003-10-28 US disclosed
US-20030187072-A1 Method of treating angiogenesis-related disorders ALCON, INC. (CH) 2003-10-02 US disclosed
EP-1309322-A2 METHOD OF TREATING NEURODEGENERATIVE DISORDERS OF THE RETINA AND OPTIC NERVE HEAD Alcon, Inc (CH) 2003-05-14 EP disclosed
US-20020183376-A1 Method of treating ocular inflammatory and angiogenesis-related disorders of the posterior segment of the eye using an amide derivative of flurbiprofen or ketorolac ALCON, INC. 2002-12-05 US disclosed
WO-2002078681-A2 METHOD OF TREATING OCULAR INFLAMMATORY AND ANGIOGENESIS-RELATED DISORDERS USING AN AMIDE DERIVATIVE OF FLUBIPROFEN OR KETOROLAC ALCON, INC. (CH) 2002-10-10 WO disclosed
US-20020049255-A1 Method of treating neurodegenerative disorders of the retina and optic nerve head ALCON UNIVERSAL LTD. 2002-04-25 US disclosed
US-20020037929-A1 Method of treating angiogenesis-related disorders ALCON UNIVERSAL LTD. 2002-03-28 US disclosed
WO-2002013805-A2 METHOD OF TREATING NEURODEGENERATIVE DISORDERS OF THE RETINA AND OPTIC NERVE HEAD ALCON, INC. (CH) 2002-02-21 WO disclosed
WO-2002013804-A2 METHOD OF TREATING ANGIOGENESIS-RELATED DISORDERS USING BENZOYL PHENYLACETIC ACID ALCON, INC. (CH) 2002-02-21 WO disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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-20020183376-A1 Method of treating ocular inflammatory and angiogenesis-related disorders of the posterior segment of the eye using an amide derivative of flurbiprofen or ketorolac PTGIR, AADAC, PTGS1 AKR1B1 41/4885PLA2G10 2724/4885PLA2G2A 1752/4885
US-20020049255-A1 Method of treating neurodegenerative disorders of the retina and optic nerve head NLN, ALDH1A2, GAP43 AKR1B1 1494/4885PLA2G10 1786/4885PLA2G2A 1166/4885
US-20090105245-A1 METHODS FOR TREATING MACULAR EDEMA AND OCULAR ANGIOGENESIS USING AN ANTI-INFLAMMATORY AGENT AND A RECEPTOR TYROSINE KINASE INHIBITOR FLT1, TEK, FLT4 AKR1B1 1522/4885PLA2G10 2452/4885PLA2G2A 1457/4885
US-20040132773-A1 Method of treating neurodgenerative disorders of the retina and optic nerve head ALDH1A2, GAP43, NLN AKR1B1 1556/4885PLA2G10 767/4885PLA2G2A 340/4885
US-20020037929-A1 Method of treating angiogenesis-related disorders MME, FLT4, EYA3 AKR1B1 1237/4885PLA2G10 3222/4885PLA2G2A 2506/4885
US-20030187072-A1 Method of treating angiogenesis-related disorders MME, FLT4, EYA3 AKR1B1 1237/4885PLA2G10 3222/4885PLA2G2A 2506/4885

“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.