SCHEMBL994002

SCHEMBL994002

COc1c2c(cc3ccoc13)C=CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 4/20 0.43
MAOA P21397 2/20 0.43
CYP2A6 P11509 2/20 0.43
CYP2D6 P10635 2/20 0.43
PDE4A P27815 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A13 Q16696 1/20 0.43
MAOB P27338 1/20 0.40
KCNA3 P22001 1/20 0.34
CYP1A1 P04798 4/20 0.33
CYP1B1 Q16678 3/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL29416115 1.00 CYP1A2 (0.43) CYP1A2CYP3A4MAOACYP2A6CYP2D6
SCHEMBL18309822 0.74 CYP3A4 (0.43) CYP1A2CYP3A4MAOACYP2A6CYP2D6
SCHEMBL23418616 0.71 CYP3A4 (0.50) CYP1A2CYP3A4MAOACYP2A6CYP2D6
SCHEMBL9099368 0.70 CYP1A1 (0.38) CYP1A2MAOAMAOBCYP1A1
SCHEMBL30098731 0.69 KDM4E (0.42) CYP3A4MAPK1KDM4EPOLBMAPT
SCHEMBL9112587 0.66 CYP2B6 (0.39) CYP1A2MAOACYP1A1KDM4EHPGD
SCHEMBL30593802 0.63 STS (0.38) CYP1A2CYP3A4MAOACYP2A6CYP2D6
SCHEMBL28445449 0.63 CA12 (0.34) CYP1A2CYP3A4CYP2A6CYP2D6MAPK1
SCHEMBL9394497 0.63 STS (0.38) CYP1A2CYP3A4MAOACYP2A6CYP2D6
SCHEMBL9113863 0.62 STS (0.38) CYP1A2MAOACYP2A6MAPK1TSHR

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
US-20240150452-A1 MULTIFUNCTIONAL PROTEIN MOLECULES COMPRISING DECORIN AND USE THEREOF CATALENT PHARMA SOLUTIONS, LLC 2024-05-09 US disclosed
US-11879009-B2 Multifunctional protein molecules comprising decorin and use thereof CATALENT PHARMA SOLUTIONS, LLC (US) 2024-01-23 US disclosed
US-11377488-B2 Multifunctional protein molecules comprising decorin and use thereof CATALENT PHARMA SOLUTIONS, LLC (US) 2022-07-05 US disclosed
US-20210251897-A9 NANOPARTICLE ARSENIC-PLATINUM COMPOSITIONS NORTHWESTERN UNIVERSITY 2021-08-19 US disclosed
US-20200214980-A1 NANOPARTICLE ARSENIC-PLATINUM COMPOSITIONS UNIV NORTHWESTERN (US) 2020-07-09 US disclosed
US-20170000859-A1 NON-NATURAL RIBONUCLEASE CONJUGATES AS CYTOTOXIC AGENTS QUINTESSENCE BIOSCIENCES 2017-01-05 US disclosed
US-9393319-B2 Non-natural ribonuclease conjugates as cytotoxic agents QUINTESSENCE BIOSCIENCES, INC. (US) 2016-07-19 US disclosed
US-20150238575-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER QUINTESSENCE BIOSCIENCES, INC. 2015-08-27 US disclosed
US-20140220115-A1 NANOPARTICLE ARSENIC-PLATINUM COMPOSITIONS NORTHWESTERN UNIVERSITY (US) 2014-08-07 US disclosed
US-20140212946-A1 NON-NATURAL RIBONUCLEASE CONJUGATES AS CYTOTOXIC AGENTS QUINTESSENCE BIOSCIENCES, INC. (US) 2014-07-31 US disclosed
US-8697065-B2 Non-natural ribonuclease conjugates as cytotoxic agents QUINTESSENCE BIOSCIENCES, INC. (US) 2014-04-15 US disclosed
US-20140017241-A1 NON-NATURAL RIBONUCLEASE CONJUGATES AS CYTOTOXIC AGENTS QUINTESSENCE BIOSCIENCES, INC. (US) 2014-01-16 US disclosed
US-8470315-B2 Non-natural ribonuclease conjugates as cytotoxic agents QUINTESSENCE BIOSCIENCES, INC. (US) 2013-06-25 US disclosed
US-20110020434-A1 NANOPARTICLE ARSENIC-PLATINUM COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-27 US disclosed
US-20050261232-A1 Non-natural ribonuclease conjugates as cytotoxic agents QUINTESSENCE BIOSCIENCES, INC. (US) 2005-11-24 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 (7 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-20170000859-A1 NON-NATURAL RIBONUCLEASE CONJUGATES AS CYTOTOXIC AGENTS RNASE1, RNASEL, RNASEH1 CYP1A2 4410/4885CYP3A4 4461/4885MAOA 3586/4885
US-20240150452-A1 MULTIFUNCTIONAL PROTEIN MOLECULES COMPRISING DECORIN AND USE THEREOF CD2BP2, DSTN, SDCBP CYP1A2 4879/4885CYP3A4 4883/4885MAOA 3138/4885
US-11879009-B2 Multifunctional protein molecules comprising decorin and use thereof CD2BP2, DSTN, SDCBP CYP1A2 4879/4885CYP3A4 4883/4885MAOA 3138/4885
US-11377488-B2 Multifunctional protein molecules comprising decorin and use thereof CD2BP2, DSTN, SDCBP CYP1A2 4879/4885CYP3A4 4883/4885MAOA 3138/4885
US-20140017241-A1 NON-NATURAL RIBONUCLEASE CONJUGATES AS CYTOTOXIC AGENTS RNASE1, RNASEL, RNASEH1 CYP1A2 4410/4885CYP3A4 4461/4885MAOA 3586/4885
US-20050261232-A1 Non-natural ribonuclease conjugates as cytotoxic agents RNASE1, RNASEL, RNASEH1 CYP1A2 4410/4885CYP3A4 4461/4885MAOA 3586/4885
US-20140212946-A1 NON-NATURAL RIBONUCLEASE CONJUGATES AS CYTOTOXIC AGENTS RNASE1, RNASEL, RNASEH1 CYP1A2 4410/4885CYP3A4 4461/4885MAOA 3586/4885

“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.