SCHEMBL6850657

SCHEMBL6850657

CC1(C)COC(c2ccccc2Br)=N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.35
PBRM1 Q86U86 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL31542580 1.00 KDM4E (0.53) KDM4EHTTATMALDH1A1HPGD
SCHEMBL18380643 0.87 KDM4E (0.61) KDM4EHTTATMALDH1A1HPGD
SCHEMBL29616919 0.87 KDM4E (0.61) KDM4EHTTATMALDH1A1HPGD
SCHEMBL1535944 0.85 KDM4E (0.53) KDM4EHTTATMALDH1A1HPGD
SCHEMBL14351749 0.84 KDM4E (0.59) KDM4EHTTATMALDH1A1HPGD
SCHEMBL22051496 0.84 KDM4E (0.51) KDM4EHTTATMALDH1A1HPGD
SCHEMBL4159068 0.81 KDM4E (0.54) KDM4EHTTATMALDH1A1LMNA
SCHEMBL8855987 0.80 KDM4E (0.58) KDM4EHTTATMALDH1A1HPGD
SCHEMBL4408132 0.80 KDM4E (0.50) KDM4EHTTATMALDH1A1HPGD
SCHEMBL31048531 0.79 KDM4E (0.53) KDM4EHTTATMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3106874-A None JP disclosed
US-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications OREGON HEALTH & SCIENCE UNIVERSITY 2023-09-14 US disclosed
US-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications OREGON HEALTH & SCIENCE UNIVERSITY 2023-09-14 US disclosed
US-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications OREGON HEALTH & SCIENCE UNIVERSITY 2023-09-14 US disclosed
EP-4225122-A1 ZWITTERIONIC CELL-PERMEANT AND WATER-SOLUBLE RHODAMINE DYES FOR QUANTITATIVE IMAGING APPLICATIONS Oregon Health & Science University (US) 2023-08-16 EP disclosed
CN-111171062-A Method for synthesizing 2-carboxyl sodium phenylboronate 大连双硼医药化工有限公司 2020-05-19 CN disclosed
US-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-23 US disclosed
US-6828159-B1 Carbopyronine fluorescent dyes Drexhage, Karl-Heinz (DE) 2004-12-07 US disclosed
EP-1173519-B1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL-HEINZ (DE) 2003-08-20 EP disclosed
EP-1173519-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE, Karl-Heinz (DE) 2002-01-23 EP disclosed
US-4301292-A 1-[2-(4,5-Dihydro-4,4-dialkyl-2-oxazolyl)phenyl]-4-(dialkylamino)cyclohexanol HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1981-11-17 US disclosed
US-4292243-A 3\"-Phenyldispiro[1,3-dioxolane-2,4'-cyclohexane-1',1\"-(3\"H)-isobenzofuran] HOECHST ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1981-09-29 US disclosed
US-4292245-A 3'-Phenylspiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-one HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1981-09-29 US disclosed
US-4290958-A Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]s HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1981-09-22 US disclosed
US-4288623-A 1-Aryl-4-amino-cyclohexan-1-ols HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1981-09-08 US disclosed
EP-0027522-A1 Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)s, processes and intermediates for their preparation and pharmaceutical compositions containing them HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1981-04-29 EP disclosed
US-3985889-A 1,3-DIHYDROSPIRO(ISOBENZOFURAN); ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-10-12 US disclosed
US-3962259-A TRANQUILIZERS, ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-06-08 US disclosed
US-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 US disclosed
US-3957828-A 3-Aminoalkyl-1,3-dihydro-3-phenylspiro[isobenzofurans] AMERICAN HOECHST CORPORATION (US) 1976-05-18 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 (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-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications SLC1A5, SLCO1B1, SLCO2B1 KDM4E 1806/4885HTT 2492/4885ATM 4650/4885
US-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins YAP1, ICOSLG, SPIN3 KDM4E 1925/4885HTT 3409/4885ATM 678/4885

“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.