SCHEMBL5448570

SCHEMBL5448570

COc1cc(OC)cc(N2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.61
PRKDC P78527 1/20 0.57
AKR1C3 P42330 1/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
APP P05067 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL14032316 0.89 PRKDC (0.52) ADRB1PRKDCAKR1C3MAPTRAB9A
SCHEMBL29833111 0.88 PRKDC (0.51) ADRB1PRKDCAKR1C3MAPTRAB9A
SCHEMBL5123031 0.88 PRKDC (0.51) ADRB1PRKDCAKR1C3MAPTRAB9A
SCHEMBL9231063 0.88 PRKDC (0.51) ADRB1PRKDCAKR1C3MAPTRAB9A
SCHEMBL27869400 0.88 PRKDC (0.51) ADRB1PRKDCAKR1C3MAPTRAB9A
SCHEMBL2208450 0.86 AKR1C3 (0.68) ADRB1PRKDCAKR1C3MAPTRAB9A
SCHEMBL19475147 0.84 AKR1C3 (0.51) ADRB1PRKDCAKR1C3MAPTRAB9A
SCHEMBL4349056 0.84 AKR1C3 (0.66) ADRB1PRKDCAKR1C3MAPTRAB9A
SCHEMBL3363814 0.84 NQO2 (0.57) MAPTRAB9AKDM4EKMT2AMEN1
SCHEMBL3359954 0.84 NQO2 (0.57) MAPTRAB9AKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562817-B1 ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS CENTRE NAT RECH SCIENT (FR) 2023-11-15 EP disclosed
US-11613513-B2 Organic materials with special optical effects CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2023-03-28 US disclosed
CN-112262128-A Method for forming aryl carbon-nitrogen bond by illumination and photoreactor for carrying out the reaction 科罗拉多州立大学研究基金会 2021-01-22 CN disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
US-20190337885-A1 Organic Materials with Special Optical Effects CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-11-07 US disclosed
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 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 (4 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-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors DCK, DTYMK, XPA ADRB1 3632/4885PRKDC 12/4885AKR1C3 3345/4885
US-20190337885-A1 Organic Materials with Special Optical Effects IK, TYR, MITF ADRB1 3729/4885PRKDC 4402/4885AKR1C3 1797/4885
US-11613513-B2 Organic materials with special optical effects IK, TYR, MITF ADRB1 3729/4885PRKDC 4402/4885AKR1C3 1797/4885
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS TYR, CRY2, CRY1 ADRB1 2844/4885PRKDC 483/4885AKR1C3 647/4885

“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.