SCHEMBL96648

SCHEMBL96648

O=CCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 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
SCHEMBL98284 0.98 SIGMAR1 (0.57) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL865066 0.98 SIGMAR1 (0.57) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL6577464 0.98 SIGMAR1 (0.57) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL6577430 0.98 SIGMAR1 (0.57) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL11049963 0.98 SIGMAR1 (0.52) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL11049892 0.98 SIGMAR1 (0.52) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8357720 0.98 SIGMAR1 (0.57) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8357002 0.98 SIGMAR1 (0.57) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL6577467 0.98 SIGMAR1 (0.57) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL6577356 0.98 SIGMAR1 (0.57) SIGMAR1MAOAMAOBMAPTRXFP1

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 1233 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063666-B Multifunctional polyester material and preparation method and application thereof 四川大学 2024-04-19 CN claimed
CN-117188149-B Method for durable flame-retardant antibacterial coating polyester fabric 江苏恒力化纤股份有限公司 2024-03-19 CN claimed
CN-117188149-A Method for durable flame-retardant antibacterial coating polyester fabric 江苏恒力化纤股份有限公司 2023-12-08 CN claimed
CN-109694350-B Compound containing fluoromethyl and preparation method thereof 中国科学院上海有机化学研究所 2023-05-09 CN claimed
CN-116063666-A Multifunctional polyester material and preparation method and application thereof 四川大学 2023-05-05 CN claimed
CN-114075108-A Deuteration of aldehyde and application in preparing deuteration aldehyde 南开大学 2022-02-22 CN claimed
CN-113444005-A Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin 四川大学 2021-09-28 CN claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
EP-3665163-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT Symrise AG (DE) 2020-06-17 EP claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO claimed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-5554339-A Process for the manufacture of wholly microfabricated biosensors I-STAT CORPORATION (US) 1996-09-10 US claimed
EP-0443559-A2 HIV protease inhibiting agents BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 SIGMAR1 4878/4885MAOA 1516/4885MAOB 1282/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 SIGMAR1 4878/4885MAOA 1516/4885MAOB 1282/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 SIGMAR1 4138/4885MAOA 3087/4885MAOB 3037/4885

“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.