SCHEMBL3799595

SCHEMBL3799595

C=CCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.48
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TDO2 P48775 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 5/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR3 P46089 1/20 0.34
ADRA1A P35348 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
SLC6A2 P23975 2/20 0.33
DRD3 P35462 2/20 0.33
SLC6A3 Q01959 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5669994 0.88 HTR2A (0.45) HTR2ACA1CA2TDO2CYP3A4
SCHEMBL9161284 0.86 HTR2A (0.44) HTR2ACA1CA2TDO2CYP3A4
SCHEMBL14767895 0.82 HTR2A (0.34) HTR2ACA1CA2TDO2HRH3
SCHEMBL22347020 0.81 HTR2A (0.50) HTR2ACA1CA2TDO2CYP3A4
SCHEMBL5353138 0.79 HTR2A (0.64) HTR2ACA1CA2TDO2CYP3A4
SCHEMBL28923189 0.79 HTR2A (0.48) HTR2ACA1CA2TDO2CYP3A4
SCHEMBL252162 0.78 HTR2A (0.52) HTR2ACA1CA2TDO2ALDH1A1
SCHEMBL7574105 0.77 HTR2A (0.61) HTR2ACA1CA2TDO2CYP3A4
SCHEMBL17022715 0.77 HTR2A (0.61) HTR2ACA1CA2TDO2CYP3A4
SCHEMBL2177659 0.76 HTR2A (0.54) HTR2ACA1CA2TDO2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-01-30 US disclosed
US-8287888-B2 Thermosensitive polyphosphazene-bioactive molecule conjugates, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-16 US disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 US disclosed
US-20090181088-A1 THERMOSENSITIVE POLYPHOSPHAZENE-BIOACTIVE MOLECULE CONJUGATES, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-07-16 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 (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-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B HTR2A 2744/4885CA1 396/4885CA2 280/4885
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLCB3, INPP5D HTR2A 3696/4885CA1 525/4885CA2 418/4885
US-20090181088-A1 THERMOSENSITIVE POLYPHOSPHAZENE-BIOACTIVE MOLECULE CONJUGATES, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLK1, PLA2G2C HTR2A 3285/4885CA1 831/4885CA2 1867/4885

“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.