SCHEMBL2808546

SCHEMBL2808546

O=C(O)c1cccc2c1C(=O)OC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TYMS P04818 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.40
ESR1 P03372 1/20 0.40
NR4A1 P22736 1/20 0.40
APEX1 P27695 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 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
SCHEMBL2808611 0.82 PARP1 (0.51) ALDH1A1LMNAL3MBTL1MAPTMAOA
2-Heptanol SCHEMBL7554467 0.80 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1MAPTALOX15
SCHEMBL6625380 0.80 ALDH1A1 (0.38) ALDH1A1LMNAL3MBTL1MAPTALOX15
SCHEMBL2804516 0.80 PARP1 (0.41) ALDH1A1LMNAL3MBTL1MAPTALOX15
SCHEMBL6624020 0.79 KDM4E (0.42) ALDH1A1LMNAALOX15KDM4EHSD17B10
SCHEMBL11094419 0.77 PARP1 (0.49) ALDH1A1MAPTALOX15KDM4EHSD17B10
SCHEMBL7001855 0.75 MAPT (0.53) ALDH1A1LMNAL3MBTL1MAPTMAOA
SCHEMBL203394 0.72 ALDH1A1 (0.67) ALDH1A1LMNAL3MBTL1MAPTALOX15
SCHEMBL855947 0.71 MAOB (0.47) ALDH1A1LMNAMAPTMAOAMAOB
SCHEMBL854978 0.71 MAOA (0.47) ALDH1A1LMNAL3MBTL1MAPTMAOA

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-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
US-11932616-B2 Diels-Alder ring-opening process NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2024-03-19 US disclosed
EP-3788030-B1 DIELS- ALDER RING-OPENING PROCESS TNO (NL) 2023-06-07 EP disclosed
EP-3788030-B1 DIELS- ALDER RING-OPENING PROCESS TNO (NL) 2023-06-07 EP disclosed
US-11384095-B2 Diels-Alder reaction with furanics to obtain aromatics NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2022-07-12 US disclosed
US-11384095-B2 Diels-Alder reaction with furanics to obtain aromatics NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2022-07-12 US disclosed
US-20210323973-A1 DIELS-ALDER REACTION WITH FURANICS TO OBTAIN AROMATICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2021-10-21 US disclosed
US-20210323973-A1 DIELS-ALDER REACTION WITH FURANICS TO OBTAIN AROMATICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2021-10-21 US disclosed
EP-3844165-A1 DIELS-ALDER REACTION WITH FURANICS TO OBTAIN AROMATICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2021-07-07 EP disclosed
US-20210115005-A1 DIELS-ALDER RING-OPENING PROCESS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2021-04-22 US disclosed
EP-3788030-A1 DIELS- ALDER RING-OPENING PROCESS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2021-03-10 EP disclosed
WO-2020046124-A1 DIELS-ALDER REACTION WITH FURANICS TO OBTAIN AROMATICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2020-03-05 WO disclosed
WO-2020046124-A1 DIELS-ALDER REACTION WITH FURANICS TO OBTAIN AROMATICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2020-03-05 WO disclosed
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US disclosed
CN-102325518-A Cosmetic or pharmaceutical composition comprising a polycondensate, polycondensate and method of cosmetic treatment OREAL 2012-01-18 CN disclosed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US disclosed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US disclosed
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION L'OREAL (FR) 2009-01-29 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-20210323973-A1 DIELS-ALDER REACTION WITH FURANICS TO OBTAIN AROMATICS ADH1C, DHPS, ADH1A ALDH1A1 10/4885LMNA 3151/4885L3MBTL1 3059/4885
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS CUTA, SUCLG1, KRT18 ALDH1A1 1901/4885LMNA 1561/4885L3MBTL1 4778/4885
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION CUTA, SYMPK, TPRKB ALDH1A1 4765/4885LMNA 72/4885L3MBTL1 3961/4885
US-20210115005-A1 DIELS-ALDER RING-OPENING PROCESS SQLE, GFER, OXER1 ALDH1A1 38/4885LMNA 4736/4885L3MBTL1 4838/4885
US-11384095-B2 Diels-Alder reaction with furanics to obtain aromatics ADH1C, DHPS, ADH1A ALDH1A1 10/4885LMNA 3151/4885L3MBTL1 3059/4885
US-11932616-B2 Diels-Alder ring-opening process SQLE, GFER, OXER1 ALDH1A1 38/4885LMNA 4736/4885L3MBTL1 4838/4885
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT ACMSD, CUTA, PCCA ALDH1A1 1510/4885LMNA 833/4885L3MBTL1 4438/4885

“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.