SCHEMBL1999459

SCHEMBL1999459

COc1cc[n+]([O-])c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.41
ACHE P22303 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
MAT2A P31153 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
MAOA P21397 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL4099241 0.79 DYRK1A (0.46) ACHEMAT2AALDH1A1KDM4ELMNA
SCHEMBL5944757 0.78 BCL2 (0.41) BCL2ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL7239633 0.78 BRD4 (0.39) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL26986441 0.77 BCL2 (0.40) BCL2ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL877569 0.77 BCL2 (0.40) BCL2ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL10701753 0.77 BCL2 (0.40) BCL2ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL3786646 0.77 BCL2 (0.40) BCL2ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL6709391 0.77 BCL2 (0.40) BCL2ACHECYP1A2CYP2A6ALDH1A1
SCHEMBL6838825 0.76 CYP1A2 (0.39) CYP1A2ALDH1A1KDM4ECYP2D6MAPT
SCHEMBL6839168 0.76 CYP1A2 (0.39) CYP1A2ALDH1A1KDM4ECYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9533297-B2 Ligands designed to provide highly active catalyst complexes CARNEGIE MELLON UNIVERSITY (US) 2017-01-03 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0150984-B1 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1991-09-11 EP disclosed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed
US-4678501-A PRE- AND POSTEMERGENCE, MITICIDES UNION CARBIDE CORPORATION (US) 1987-07-07 US disclosed
US-4562197-A CATTLE, POULTRY PFIZER INC. (US) 1985-12-31 US disclosed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 EP disclosed
EP-0144230-A2 Growth promotants for animals Pfizer Limited (GB) 1985-06-12 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 (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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 BCL2 3128/4885ACHE 1829/4885CYP1A2 2094/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 BCL2 2179/4885ACHE 3491/4885CYP1A2 957/4885

“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.