SCHEMBL1144765

SCHEMBL1144765

CCCC(C[O])c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.47
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CCR5 P51681 1/20 0.39
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HRH1 P35367 3/20 0.38
HTR2A P28223 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NQO1 P15559 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL821042 0.88 POLB (0.46) AOC3POLBNPSR1SIGMAR1
SCHEMBL1263573 0.86 AOC3 (0.48) AOC3LMNAESR1ESR2HRH1
SCHEMBL1144475 0.85 AOC3 (0.42) AOC3LMNAESR1ESR2CCR5
SCHEMBL9276354 0.84 AOC3 (0.47) AOC3LMNAESR1ESR2HRH1
SCHEMBL1144581 0.82 CCR5 (0.49) AOC3LMNACCR5GABBR2GABBR1
SCHEMBL233438 0.82 LMNA (0.48) AOC3LMNAESR1ESR2CCR5
SCHEMBL28256760 0.82 AOC3 (0.40) AOC3LMNAESR1ESR2CCR5
SCHEMBL4275218 0.81 GABBR2 (0.46) AOC3LMNAGABBR2GABBR1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28248687 0.80 LMNA (0.46) AOC3LMNAESR1ESR2CCR5
Hydrogen Peroxide SCHEMBL11212534 0.80 LMNA (0.52) AOC3LMNAESR1ESR2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655708-B 2, 3-biphosphinopyrazine derivative, process for producing the same, complex compound, catalyst, and process for producing organoboron compound 日本化学工业株式会社 2023-08-25 CN disclosed
CN-111032668-B Optically active 2,3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, and process for producing organoboron compound 日本化学工业株式会社 2022-10-14 CN disclosed
US-11185851-B2 Polymer-supported metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-30 US disclosed
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-11 US disclosed
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-07-06 US disclosed
US-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2020-12-03 US disclosed
CN-111655708-A 2, 3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, chiral catalyst, and process for producing organoboron compound 日本化学工业株式会社 2020-09-11 CN disclosed
CN-111032668-A Optically active 2, 3-bisphosphinylpyrazine derivative, method for producing same, transition metal complex, and method for producing organoboron compound 日本化学工业株式会社 2020-04-17 CN disclosed
EP-3572518-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE Takasago International Corporation (JP) 2019-11-27 EP disclosed
US-20190338216-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-11-07 US disclosed
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 US disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 EP disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP 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 (6 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-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND ORC3, BMP2, TERT AOC3 595/4885LMNA 4071/4885ESR1 1702/4885
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 AOC3 157/4885LMNA 3254/4885ESR1 4393/4885
US-20190338216-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR1C3, AKR7A2 AOC3 69/4885LMNA 3555/4885ESR1 2522/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 AOC3 3021/4885LMNA 3542/4885ESR1 2233/4885
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR7A2, FAAH2 AOC3 57/4885LMNA 3203/4885ESR1 3192/4885
US-11185851-B2 Polymer-supported metal SOD1, PCNA, MAX AOC3 1403/4885LMNA 4342/4885ESR1 3813/4885

“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.