SCHEMBL9051047

SCHEMBL9051047

[O-][N+]1(c2ccccc2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
ORAI1 Q96D31 1/20 0.31

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
SCHEMBL900908 0.80 MAPT (0.33) CYP1A2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL11224081 0.80 LMNA (0.33) LMNAHTT
SCHEMBL1828313 0.80 LMNA (0.33) LMNA
SCHEMBL2290692 0.78 CYP1A2 (0.50) CYP1A2CYP2C9LMNASMN1; SMN2CRHBP
SCHEMBL76560 0.78 LMNA (0.32) LMNAHTTKMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL7459719 0.76 PABPC1 (0.32) LMNAHTTKMT2AALDH1A1HPGD
SCHEMBL5392162 0.74 ORAI1 (0.38) LMNAMEN1KMT2ATSHRORAI1
SCHEMBL1977562 0.74 LMNA (0.31) LMNA
SCHEMBL15293601 0.74 CYP1A2 (0.43) CYP1A2CYP2C9LMNASMN1; SMN2CRHBP
SCHEMBL22468064 0.74 SLC6A2 (0.32) CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11469448-B2 Electrolyte additive, electrolyte and lithium ion secondary battery containing the same MURATA MANUFACTURING CO., LTD. (JP) 2022-10-11 US disclosed
CN-111755749-A Electrolyte additive, electrolyte and lithium ion secondary battery comprising same 株式会社村田制作所 2020-10-09 CN disclosed
US-20200313239-A1 ELECTROLYTE ADDITIVE, ELECTROLYTE AND LITHIUM ION SECONDARY BATTERY CONTAINING THE SAME MURATA MANUFACTURING CO., LTD. (JP) 2020-10-01 US disclosed
US-20160002185-A1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2016-01-07 US disclosed
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 EP disclosed
US-4453967-A Homobrassinolide compounds which are steroids having plant growth promoting activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-06-12 US disclosed
US-4335052-A OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1982-06-15 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 (1 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-20160002185-A1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, MDM4 CYP1A2 1976/4885CYP2C9 2187/4885LMNA 2688/4885

“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.