SCHEMBL7621182

SCHEMBL7621182

O=CCCC(=O)Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CTBP2 P56545 1/20 0.43
VNN1 O95497 1/20 0.43
HTT P42858 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7619469 0.84 SMN1; SMN2 (0.54) GAAKMT2ASMN1; SMN2CTBP2VNN1
SCHEMBL8962221 0.81 NPC1 (0.43) KMT2ACTBP2VNN1TDP1ALDH1A1
SCHEMBL7674308 0.81 GAA (0.47) GAAKMT2ASMN1; SMN2CTBP2HTT
SCHEMBL24890434 0.81 L3MBTL1 (0.51) KMT2ASMN1; SMN2CTBP2VNN1TDP1
SCHEMBL526194 0.80 GAA (0.57) GAAKMT2ASMN1; SMN2CTBP2HTT
SCHEMBL12731522 0.79 GAA (0.48) GAAKMT2ASMN1; SMN2CTBP2VNN1
SCHEMBL8526128 0.77 SLC6A4 (0.41) KMT2ASMN1; SMN2TDP1ALDH1A1LMNA
SCHEMBL8711809 0.77 FFAR4 (0.45) KMT2AVNN1ALDH1A1LMNA
SCHEMBL9080910 0.77 MAPK1 (0.36) KMT2AVNN1HTTALDH1A1EGFR
SCHEMBL28154639 0.77 TAAR1 (0.48) GAAKMT2ASMN1; SMN2CTBP2VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975178-A Preparation method of polyaryletherketone resin with alkyl structure in main chain, polyaryletherketone resin with alkyl structure in main chain and application 中国科学院大连化学物理研究所 2023-04-18 CN claimed
CN-115975179-A Preparation method of alkyl structure-containing polyaryletherketone resin, alkyl structure-containing polyaryletherketone resin and application 中国科学院大连化学物理研究所 2023-04-18 CN claimed
CN-115975179-A Preparation method of alkyl structure-containing polyaryletherketone resin, alkyl structure-containing polyaryletherketone resin and application 中国科学院大连化学物理研究所 2023-04-18 CN disclosed
CN-115975178-A Preparation method of polyaryletherketone resin with alkyl structure in main chain, polyaryletherketone resin with alkyl structure in main chain and application 中国科学院大连化学物理研究所 2023-04-18 CN disclosed
US-6486194-B2 ALZHEIMER'S DISEASE MERCK FROSST CANADA, INC. (CA) 2002-11-26 US disclosed
US-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. 2001-08-23 US disclosed
US-6239173-B1 ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC, AND ANTIARTHRITIC AGENTS MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. (CA) 2001-05-29 US disclosed
EP-0980866-A2 Phenyl heterocycles as cyclooxygenase-2 inhibitors Merck Frosst Canada & Co. (CA) 2000-02-23 EP disclosed
US-5840746-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-11-24 US disclosed
EP-0822190-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1998-02-04 EP disclosed
US-5710140-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIPYRETIC AGENT MERCK FROSST CANADA, INC. (CA) 1998-01-20 US disclosed
EP-0754687-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1997-01-22 EP disclosed
EP-0739340-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-10-30 EP disclosed
US-5550142-A CYCLOOXYGENASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETIC AGENTS MERCK FROSST CANADA INC. (CA) 1996-08-27 US disclosed
US-5536752-A TREATMENT OF CYCLOOXYGENASE-2 MEDIATED DISEASES; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1996-07-16 US disclosed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP disclosed
US-5474995-A Nonsteroidal, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1995-12-12 US disclosed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 WO disclosed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 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 (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-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases PTGS1, PTGES2, PTGS2 GAA 1001/4885KMT2A 3803/4885SMN1; SMN2 102/4885

“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.