SCHEMBL11583149

SCHEMBL11583149

CCC(C)CCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.52
▸ LTA4H P09960 3/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49
▸ CHRNB2 P17787 2/20 0.48
▸ CHRNB4 P30926 2/20 0.48
▸ CHRNA3 P32297 2/20 0.48
▸ CHRNA7 P36544 2/20 0.48
▸ CHRNA4 P43681 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ HTR1B P28222 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MAPK1 P28482 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL22692744 0.90 KCNA3 (0.56) KCNA3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL9503356 0.90 KCNA3 (0.58) KCNA3LTA4HSIGMAR1CHRNB2CHRNB4
SCHEMBL10589779 0.89 CHRNB2 (0.53) LTA4HSIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL6561311 0.89 CHRNB2 (0.53) LTA4HSIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL8736407 0.89 KCNA3 (0.59) KCNA3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL17138131 0.86 TSHR (0.45) TDP1ALDH1A1RECQLMAPK1
SCHEMBL6463047 0.86 LTA4H (0.53) KCNA3LTA4HSIGMAR1CHRNB2CHRNB4
SCHEMBL24398902 0.85 LTA4H (0.49) LTA4HSIGMAR1
SCHEMBL12047608 0.84 LTA4H (0.47) KCNA3LTA4HSIGMAR1CHRNB2CHRNB4
SCHEMBL9426483 0.82 HDAC3 (0.50) KCNA3LTA4HSIGMAR1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 — — EP disclosed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 — — WO disclosed
CN-109810664-A Compositions of ultraviolet curing type and application and transfer fine pattern form body and its manufacturing method 比亚迪股份有限公司 2019-05-28 — — CN disclosed
CN-109471332-A A kind of patterning quantum stippling film and preparation method thereof, display device 北京欣奕华科技有限公司 2019-03-15 — — CN disclosed
CN-109354924-A A kind of the quantum dot ink and preparation method of inkjet printing 北京欣奕华科技有限公司 2019-02-19 — — CN disclosed
CN-102880000-B Hardening resin composition and application thereof AGC清美化学股份有限公司 2018-06-01 — — CN disclosed
CN-107513247-A A kind of resistant, toughened light curing resin composition and preparation method thereof 杭州乐新材料科技有限公司 2017-12-26 — — CN disclosed
CN-106478899-A A kind of modification light curing resin composition and preparation method thereof 杭州乐新材料科技有限公司 2017-03-08 — — CN disclosed
US-8071712-B2 Multibranched polyoxyalkylene derivative NOF CORPORATION (JP) 2011-12-06 — — US disclosed
US-7985767-B2 Glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; carboxy-functional amides or sulfonamide and carboxy bioisosteres thereof; 5-(-3-(N-(4-(1-hydroxyhexyl)phenyl)acetamido)butyl)thiophene-2-carboxylic acid for example ALLERGAN, INC. (US) 2011-07-26 — — US disclosed
US-20100029899-A1 MULTIBRANCHED POLYOXYALKYLENE DERIVATIVE NOF CORPORATION (JP) 2010-02-04 — — US disclosed
US-20080119539-A1 THERAPEUTIC AMIDES ALLERGAN, INC. 2008-05-22 — — US disclosed
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts OLD DAVID W 2008-03-06 — — US disclosed
US-4066707-A METHOD FOR MANUFACTURE OF DIPHENOLS AND MONOALKYL ETHERS OF DIPHENOLS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1978-01-03 — — 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 (2 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-20080119539-A1 THERAPEUTIC AMIDES GOT2, GOT1, ARG2 KCNA3 3591/4885LTA4H 1159/4885SIGMAR1 866/4885
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 KCNA3 2097/4885LTA4H 55/4885SIGMAR1 2315/4885

“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.

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