SCHEMBL4530341

SCHEMBL4530341

B(Oc1cccc(-c2ccccc2)c1)Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
LTA4H P09960 1/20 0.42
BACE1 P56817 1/20 0.41
SOD1 P00441 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2A7 P20853 1/20 0.40
CYP3A7 P24462 1/20 0.40
CYP2F1 P24903 1/20 0.40
CYP2C18 P33260 1/20 0.40

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
SCHEMBL14117990 0.84 ALDH1A1 (0.43) MAOASOD1ALDH1A1CYP1A1CYP1A2
SCHEMBL3689307 0.84 HSD17B1 (0.53) ALDH1A1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL78443 0.83 MRGPRX4 (0.41) MAOALTA4HMRGPRX4GGPS1RXRA
SCHEMBL3888994 0.82 ESR1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3897264 0.82 GSTP1 (0.39) BACE1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3422941 0.81 ESR1 (0.52) BACE1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15626513 0.81 RXRA (0.44) CYP3A4CYP2C9MRGPRX4GGPS1RXRA
SCHEMBL25661893 0.81 GGPS1 (0.44) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL27253080 0.79 CYP1A1 (0.44) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL16361075 0.78 LTA4H (0.55) MAOALTA4HALDH1A1CYP1A1CYP1A2

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
EP-2947071-B1 Organic compound and composition and organic optoelectric device and display device SAMSUNG SDI CO LTD (KR) 2019-04-03 EP disclosed
US-20150340626-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-11-26 US disclosed
EP-2947071-A1 Organic compound and composition and organic optoelectric device and display device Samsung SDI Co., Ltd. (KR) 2015-11-25 EP disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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 (3 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 MAOA 965/4885LTA4H 3890/4885BACE1 3629/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 MAOA 965/4885LTA4H 3890/4885BACE1 3629/4885
US-20150340626-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OCIAD1 MAOA 461/4885LTA4H 564/4885BACE1 1444/4885

“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.