SCHEMBL4895199

SCHEMBL4895199

C=Cc1ccccc1COC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
HTR1A P08908 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
BDKRB2 P30411 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PMP22 Q01453 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL8418590 0.89 ALDH1A1 (0.36) ALDH1A1ADRB2ADRB1TSHRLMNA
SCHEMBL8708901 0.87 ALDH1A1 (0.35) ALDH1A1ADRB2ADRB1TSHRLMNA
SCHEMBL10628516 0.86 ALDH1A1 (0.34) ALDH1A1ADRB2ADRB1TSHRLMNA
SCHEMBL10623860 0.83 ALDH1A1 (0.32) ALDH1A1ADRB2ADRB1TSHRLMNA
SCHEMBL28886019 0.83 ALDH1A1 (0.32) ALDH1A1ADRB2ADRB1TSHRLMNA
SCHEMBL14945604 0.81 LMNA (0.43) ALDH1A1TSHRLMNACYP1A2TDP1
SCHEMBL647871 0.80 IDO1 (0.38) ALDH1A1TSHRKCNH2HPGDMEN1
SCHEMBL9064789 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10624022 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7156396 0.79 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11228011-B2 Ionic compound, coating composition comprising same, and organic light-emitting diode LG CHEM, LTD. 2022-01-18 US disclosed
US-10792651-B2 Synthesis and characterization of Ru alkylidene complexes UMICORE AG & CO. KG (DE) 2020-10-06 US disclosed
US-20200227645-A1 Ionic Compound, And Coating Composition And Organic Light-emitting Device Comprising Same LG CHEM, LTD. (KR) 2020-07-16 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
US-6299785-B1 Electrode formation process JSR CORPORATION (JP) 2001-10-09 US disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 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-11228011-B2 Ionic compound, coating composition comprising same, and organic light-emitting diode COG1, ITGA1, ITGB1 ALDH1A1 305/4885ADRB2 2505/4885ADRB1 2098/4885
US-20200227645-A1 Ionic Compound, And Coating Composition And Organic Light-emitting Device Comprising Same OR10J3, ORC3, CD59 ALDH1A1 2311/4885ADRB2 2293/4885ADRB1 2975/4885
US-10792651-B2 Synthesis and characterization of Ru alkylidene complexes PORCN, ORC3, COASY ALDH1A1 1478/4885ADRB2 3758/4885ADRB1 4174/4885

“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.