SCHEMBL853199

SCHEMBL853199

CCOC(=O)CC(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 2/20 0.55
PTPN1 P18031 1/20 0.54
KDM4E B2RXH2 5/20 0.54
HPGD P15428 4/20 0.54
GAA P10253 1/20 0.54
HDAC1 Q13547 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC2 Q92769 2/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
P2RY12 Q9H244 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MAPT P10636 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL29362884 1.00 ALDH1A1 (0.55) ALDH1A1NPC1SMN1; SMN2RAB9APTPN1
SCHEMBL11830878 0.85 PTPN1 (0.59) ALDH1A1NPC1SMN1; SMN2RAB9APTPN1
SCHEMBL2644205 0.85 ALDH1A1 (0.58) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL30420736 0.84 SMN1; SMN2 (0.58) ALDH1A1NPC1SMN1; SMN2RAB9APTPN1
SCHEMBL7835274 0.84 SMN1; SMN2 (0.58) ALDH1A1NPC1SMN1; SMN2RAB9APTPN1
SCHEMBL3379510 0.82 HDAC1 (0.60) ALDH1A1NPC1SMN1; SMN2RAB9APTPN1
SCHEMBL12600053 0.81 HDAC3 (0.48) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL12600064 0.81 KMT2A (0.45) ALDH1A1SMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL1974978 0.81 PTPN1 (0.71) ALDH1A1NPC1SMN1; SMN2RAB9APTPN1
SCHEMBL29489791 0.81 PTPN1 (0.71) ALDH1A1NPC1SMN1; SMN2RAB9APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980001-B Pyrazolol-pyridazinone coupling compound, pharmaceutical composition thereof and application of pyrazolol-pyridazinone coupling compound in medicines 贵州医科大学 2024-01-30 CN disclosed
CN-108558833-B Pyrazole alcohol compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-03-04 CN disclosed
CN-113980001-A Pyrazole alcohol-pyridazinone coupling compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-01-28 CN disclosed
CN-112209907-A Method for synthesizing dihydrofuran containing 1, 3-indene dione spiro-skeleton by using microchannel reaction device 南京先进生物材料与过程装备研究院有限公司 2021-01-12 CN disclosed
US-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2014-01-16 US disclosed
US-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2014-01-16 US disclosed
US-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2014-01-16 US disclosed
WO-2012127214-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2012-09-27 WO disclosed
WO-2012127214-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2012-09-27 WO disclosed
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
US-6063800-A Modulators of molecules with phosphotyrosine recognition units NOVO NORDISK A/S (DK) 2000-05-16 US disclosed
US-5972978-A FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, USE FOR PURIFICATION OF PROTEINS OR GLYCOPROTEINS, USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 US disclosed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 WO disclosed
US-RE30739-E ANTIDEPRESSANT BEECHAM GROUP LIMITED (GB) 1981-09-08 US disclosed
US-4167515-A Anorexic chromans BEECHAM GROUP LIMITED (GB) 1979-09-11 US disclosed
US-4153617-A Anorexic chromans BEECHAM GROUP LIMITED (GB) 1979-05-08 US disclosed
US-4148909-A Chromans to treat depression and reduce appetite BEECHAM GROUP LIMITED (GB) 1979-04-10 US disclosed
US-4146539-A MOOD MODIFYERS, ANTIDEPRESSANTS BEECHAM GROUP LIMITED (GB) 1979-03-27 US disclosed
US-4080335-A Anorexic chromans BEECHAM GROUP LIMITED (GB) 1978-03-21 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 (1 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-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE NOX4, NOX1, CYBB ALDH1A1 517/4885NPC1 3998/4885SMN1; SMN2 2870/4885

“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.