SCHEMBL231105

SCHEMBL231105

[CH2]c1cccc(OC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTPN5 P54829 1/20 0.39
PARP10 Q53GL7 1/20 0.38
LMNA P02545 2/20 0.38
BRD4 O60885 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
SCHEMBL10551418 0.87 ALDH1A1 (0.41) RXRARXRBKMT2AMEN1GAA
SCHEMBL9559009 0.85 MTNR1A (0.36) RXRARXRBALDH1A1L3MBTL1CA2
SCHEMBL2968363 0.84 RXRA (0.53) RXRARXRBKMT2AMEN1GAA
SCHEMBL19665952 0.80 GPBAR1 (0.46) GAAALDH1A1
SCHEMBL5541557 0.80 NPSR1 (0.47) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2096774 0.79 RXRA (0.51) RXRARXRBKMT2AGAAGABRA1
SCHEMBL11686486 0.78 RXRA (0.46) RXRARXRBKMT2AMEN1GAA
SCHEMBL1196373 0.78 DRD1 (0.46) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL2088754 0.77 RXRA (0.49) RXRARXRBKMT2AMEN1GAA
SCHEMBL8926556 0.76 MEN1 (0.42) KMT2AMEN1GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
US-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
US-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-06-24 US disclosed
US-10815229-B1 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2020-10-27 US disclosed
EP-2647644-B1 2'-O-MODIFIED RNA WAVE LIFE SCIENCES JAPAN INC (JP) 2020-09-09 EP disclosed
US-10662184-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2020-05-26 US disclosed
US-20190194184-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2019-06-27 US disclosed
US-10246453-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2019-04-02 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4031082-A Process for preparing 3-acycloxymethyl-2-cephem compounds ELI LILLY AND COMPANY (US) 1977-06-21 US disclosed
US-4029651-A ESTERIFICATION ELI LILLY AND COMPANY (US) 1977-06-14 US disclosed
US-4008231-A Preparation of 3-methoxymethylcephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 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 (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-10815229-B1 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B RXRA 2958/4885RXRB 2615/4885KMT2A 2408/4885
US-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DAZAP1, DDC RXRA 2648/4885RXRB 2782/4885KMT2A 242/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 RXRA 3421/4885RXRB 3099/4885KMT2A 502/4885
US-11992012-B2 Diaminotriazine compounds DDT, DAZAP1, DDC RXRA 2648/4885RXRB 2782/4885KMT2A 242/4885
US-10246453-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B RXRA 2958/4885RXRB 2615/4885KMT2A 2408/4885
US-10662184-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B RXRA 2916/4885RXRB 2709/4885KMT2A 2494/4885
US-20190194184-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B RXRA 2916/4885RXRB 2709/4885KMT2A 2494/4885

“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.