SCHEMBL2474711

SCHEMBL2474711

O=C(O)c1cc2c3c(cccc3c1)CC=C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PTPN1 P18031 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA6 P23280 1/20 0.36
▸ RNASEH1 O60930 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ SRD5A2 P31213 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ SRD5A1 P18405 1/20 0.33
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27673211 0.84 MEN1 (0.49) MEN1KMT2APTPN1CA12CA1
Terephthalic Acid SCHEMBL27585525 0.83 MEN1 (0.42) MEN1KMT2APTPN1CA12CA1
Terephthalic Acid SCHEMBL27475251 0.83 MEN1 (0.42) MEN1KMT2APTPN1CA12CA1
Benzoic Acid SCHEMBL28206140 0.82 DAO (0.42) MEN1KMT2ACA12CA1CA2
Bicarbonate SCHEMBL27933722 0.79 TSHR (0.36) MEN1KMT2ACA1CA2ALDH1A1
Oxalic Acid SCHEMBL27401043 0.78 CYP2C19 (0.35) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL8916545 0.78 MEN1 (0.33) MEN1KMT2ACA1CA2MCL1
Methoxymethane SCHEMBL28149002 0.77 CYP2D6 (0.40) —
SCHEMBL5372908 0.77 MEN1 (0.63) MEN1KMT2APTPN1CA12CA1
Acetic Acid SCHEMBL663243 0.76 CYP2C19 (0.40) MEN1KMT2ACA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112089714-A Oxazolidinone-quinolone hybrid antibacterial agents for the parenteral treatment or prophylaxis of bacterial diseases 莫弗凯姆有限公司 2020-12-18 — — CN disclosed
CN-105246476-A Combination therapy comprising oxazolidinone-quinolones for use in treating bacterial infections MORPHOCHEM AG KOMB CHEMIE 2016-01-13 — — CN disclosed
CN-102333749-B Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES INC 2015-04-22 — — CN disclosed
US-8604235-B2 Production of substituted phenylene aromatic diesters and compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2013-12-10 — — US disclosed
US-8507717-B2 Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES LLC (US) 2013-08-13 — — US disclosed
CN-102333749-A Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES INC (US) 2012-01-25 — — CN disclosed
EP-2376423-A1 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS Dow Global Technologies LLC (US) 2011-10-19 — — EP disclosed
EP-2373604-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS Dow Global Technologies LLC (US) 2011-10-12 — — EP disclosed
US-20100204506-A1 Production of Substituted Phenylene Aromatic Diesters and Compositions W. R. GRACE & CO.-CONN. 2010-08-12 — — US disclosed
WO-2010078519-A1 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 — — WO disclosed
WO-2010078512-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 — — WO disclosed
US-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters W.R. GRACE & CO.-CONN. 2010-07-08 — — US disclosed
CN-100544719-C Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections MORPHOCHEM AG (DE) 2009-09-30 — — CN disclosed
CN-101432003-A Non-cardiotoxic pharmaceutical compounds BARBEAU DONALD L (US) 2009-05-13 — — CN disclosed
CN-1832746-A Use of oxazolidinone-quinoline hybrid antibiotics for the treatment of anthrax and other infections MORPHOCHEM AG KOMB CHEMIE (DE) 2006-09-13 — — CN 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-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters DDT, COMT, DDC MEN1 3581/4885KMT2A 735/4885PTPN1 2777/4885
US-20100204506-A1 Production of Substituted Phenylene Aromatic Diesters and Compositions PAH, DDC, DDT MEN1 3036/4885KMT2A 1611/4885PTPN1 2443/4885

“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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