SCHEMBL1722216

SCHEMBL1722216

CCCCC(C)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.45
FDPS P14324 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38

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
SCHEMBL15800111 1.00 CA1 (0.48) CA1CA2FDPSALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL28118106 0.98 CA1 (0.47) CA1CA2FDPSALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL29047451 0.98 CA1 (0.47) CA1CA2FDPSALDH1A1CYP3A4
SCHEMBL5138404 0.93 CA1 (0.57) CA1FDPSACE2ZDHHC7
SCHEMBL16298859 0.93 CA1 (0.57) CA1FDPSACE2ZDHHC7
SCHEMBL11869095 0.91 CA1 (0.55) CA1FDPSACE2ZDHHC7
SCHEMBL8963949 0.91 CA1 (0.55) CA1FDPSACE2ZDHHC7
SCHEMBL3677429 0.91 CA1 (0.55) CA1FDPSACE2ZDHHC7
SCHEMBL3673850 0.91 CA1 (0.55) CA1FDPSACE2ZDHHC7
SCHEMBL14169844 0.91 CA1 (0.55) CA1FDPSACE2ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396477-A Pyridyl-substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-01-12 CN claimed
CN-106676084-B A kind of lipase mutant, encoding gene and its application from thermophilic ankle section bacterium 浙江工业大学 2019-11-29 CN claimed
CN-104293744-B Talaromyces thermophilus derived lipase mutant and application thereof 浙江工业大学 2017-04-12 CN claimed
CN-1034501-C (Bemzhydryloxyethylpiperidyl) aliphatic acid derivatives and their use in the treatment of allergies and asthma SANKYO CO (JP) 1997-04-09 CN claimed
CN-1058773-A (diphenyl-methyl oxyethyl group piperidyl) aliphatic acid derivative and the purposes in treatment allergy and asthma thereof SANKYO CO (JP) 1992-02-19 CN claimed
CN-118401524-A Material for organic electroluminescent device 默克专利有限公司 2024-07-26 CN disclosed
CN-111801833-B Nonaqueous electrolyte and energy device using same 三菱化学株式会社 2024-07-16 CN disclosed
CN-111788733-B Nonaqueous electrolyte and power storage device using same 三菱化学株式会社 2024-02-02 CN disclosed
CN-117396477-A Pyridyl-substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-01-12 CN disclosed
US-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes FIRMENICH SA (CH) 2024-01-02 US disclosed
US-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes FIRMENICH SA (CH) 2024-01-02 US disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
US-4096342-A 8β,12α,15β-PGE2 compounds THE UPJOHN COMPANY (US) 1978-06-20 US disclosed
US-4095036-A 8β,12α,15β-PGF2 β Compounds THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4084063-A PROSTAGLANDINS; ANTIULCER AGENTS, ANTICOAGULANTS, OXYTOCICS, DECONGESTANTS THE UPJOHN COMPANY (US) 1978-04-11 US disclosed
US-3987085-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3969396-A 8β, 11β, 12α-PGE2 compounds THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3954833-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-05-04 US disclosed
US-3933889-A 4,5-Cis-didehydro-PGF1.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 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-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes ADH1C, ADH1A, ADH5 CA1 613/4885CA2 2957/4885FDPS 419/4885

“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.