SCHEMBL4292777

SCHEMBL4292777

CC(C)CCOC(=O)CCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
CA1 P00915 3/20 0.46
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
MAPK1 P28482 2/20 0.40
DGKA P23743 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.38
ACHE P22303 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
SCHEMBL333015 0.93 ADRA2A (0.50) CYP19A1CA1CA12CA2CA9
SCHEMBL22812976 0.89 CA1 (0.41) CYP19A1CA1CA12CA2CA9
SCHEMBL25886908 0.88 CA1 (0.44) CYP19A1CA1TDP1ADRA2AADRA1A
SCHEMBL14672499 0.88 DGKA (0.48) CYP19A1CA1CA12CA2CA9
SCHEMBL14308492 0.88 CA1 (0.44) CYP19A1CA1TDP1ADRA2AADRA1A
SCHEMBL249563 0.88 DGKA (0.54) CYP19A1CA1CA12CA2CA9
SCHEMBL494501 0.86 DGKA (0.57) CYP19A1CA1CA12CA2CA9
SCHEMBL11051092 0.86 CA1 (0.43) CYP19A1CA1CA12CA2CA9
SCHEMBL494939 0.86 DGKA (0.57) CYP19A1CA1CA12CA2CA9
SCHEMBL4160276 0.86 DGKA (0.47) CYP19A1CA1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN claimed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN disclosed
CN-110799179-A Solid composition comprising iodine reagent and sodium chloride with improved water solubility and antiviral and antibacterial composition for eye, oral cavity, nasal cavity or inhalation comprising aqueous solution thereof 富陆凯米有限责任公司 2020-02-14 CN disclosed
CN-106632761-B A kind of Narrow Molecular Weight Distribution polypropylene and preparation method thereof 中国石油化工股份有限公司 2019-06-28 CN disclosed
US-20180208590-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2018-07-26 US disclosed
US-9944632-B2 Compounds having estrogen receptor alpha degradation activity and uses thereof ACCUTAR BIOTECHNOLOGY INC. (US) 2018-04-17 US disclosed
US-20180016269-A1 NOVEL COMPOUNDS AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2018-01-18 US disclosed
CN-107417818-A It is a kind of for the catalytic component of olefinic polymerization, preparation method and catalyst 北京利和知信科技有限公司 2017-12-01 CN disclosed
CN-104755510-B Ziegler natta catalyst system of internal donor and preparation method thereof is used as comprising 1,2 phenylene diester 印度石油有限公司 2017-11-07 CN disclosed
CN-107033591-A A kind of high temperature resistance polyester imine nanometer ultrathin membrane and preparation method thereof 陕西科技大学 2017-08-11 CN disclosed
US-20150197494-A1 NO-RELEASING NITROOXY-METHYLENE-LINKED-COXIB CONJUGATES EUCLISES PHARMACEUTICALS INC (US) 2015-07-16 US disclosed
US-9044464-B2 No-releasing guanidine-coxib anti-cancer agents Euclises Pharmaceuticals, Inc. (US) 2015-06-02 US disclosed
US-8859781-B2 No-releasing nonoate(nitrogen-bound)sulfonamide-linked-coxib anti-cancer agents Euclises Pharmaceuticals, Inc. (US) 2014-10-14 US disclosed
US-8765809-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2014-07-01 US disclosed
US-20140018403-A1 NO-RELEASING GUANIDINE-COXIB ANTI-CANCER AGENTS Euclises Pharmaceuticals, Inc. 2014-01-16 US disclosed
US-20140018544-A1 NO-RELEASING NONOATE(NITROGEN-BOUND)SULFONAMIDE-LINKED-COXIB ANTI-CANCER AGENTS Euclises Pharmaceuticals, Inc. 2014-01-16 US disclosed
US-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2013-02-28 US disclosed
US-8212068-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2012-07-03 US disclosed
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
JP-2004318111-A COLORED PHOTOSENSITIVE RESIN COMPOSITION SUMITOMO CHEM CO LTD 2004-11-11 JP 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 (7 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-20140018544-A1 NO-RELEASING NONOATE(NITROGEN-BOUND)SULFONAMIDE-LINKED-COXIB ANTI-CANCER AGENTS NOS1, NOS2, PTGS1 CYP19A1 467/4885CA1 3639/4885CA12 2841/4885
US-20180016269-A1 NOVEL COMPOUNDS AND USES THEREOF ESR2, ESRRB, ESRRA CYP19A1 10/4885CA1 3713/4885CA12 2268/4885
US-20180208590-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ESR2, ESRRG, ESR1 CYP19A1 7/4885CA1 3999/4885CA12 3469/4885
US-20140018403-A1 NO-RELEASING GUANIDINE-COXIB ANTI-CANCER AGENTS GUCY1B1, ARGLU1, ARG1 CYP19A1 739/4885CA1 4517/4885CA12 4019/4885
US-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, MEP1B CYP19A1 7/4885CA1 1613/4885CA12 860/4885
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, F8 CYP19A1 6/4885CA1 1073/4885CA12 736/4885
US-20150197494-A1 NO-RELEASING NITROOXY-METHYLENE-LINKED-COXIB CONJUGATES NOS1, NOS2, PTGS1 CYP19A1 190/4885CA1 4161/4885CA12 3444/4885

“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.