SCHEMBL2734465

SCHEMBL2734465

CCCCCC#CCC#CCC#CCCCCCCC=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
FAAH O00519 2/20 0.57
TRPV1 Q8NER1 2/20 0.57
RECQL P46063 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PTPN7 P35236 5/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HMGCR P04035 4/20 0.46
EPHX1 P07099 1/20 0.39

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
SCHEMBL2734257 0.96 TSHR (0.58) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL19432892 0.94 TSHR (0.73) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL4355698 0.94 TSHR (0.73) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL4384813 0.94 TSHR (0.73) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL2734169 0.94 TSHR (0.73) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL28013202 0.94 TSHR (0.73) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL2734292 0.94 TSHR (0.73) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL2734276 0.90 TSHR (0.65) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL1300728 0.90 TSHR (0.65) TSHRFAAHTRPV1RECQLTDP1
SCHEMBL10397635 0.86 TSHR (0.67) TSHRFAAHTRPV1PTPN7HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906147-B2 superparamagnetic nanoparticles of iron coated with bilayer of molecules:(a) layer of oleic acid in direct contact with the iron particles; (b) a layer of Tween\"; bilayer of surface binding molecules and amphiphatic molecules; self-assembles; solubilizing; reducing toxicity; gold in MRI and tomography NANOPROBES, INC. (US) 2011-03-15 US disclosed
US-20080089836-A1 superparamagnetic nanoparticles of iron coated with bilayer of molecules:(a) layer of oleic acid in direct contact with the iron particles; (b) a layer of Tween\"; bilayer of surface binding molecules and amphiphatic molecules; self-assembles; solubilizing; reducing toxicity; gold in MRI and tomography NANOPROBES, INC. (US) 2008-04-17 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 (1 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-20080089836-A1 superparamagnetic nanoparticles of iron coated with bilayer of molecules:(a) layer of oleic acid in direct contact with the iron particles; (b) a layer of Tween\"; bilayer of surface binding molecules and amphiphatic molecules; self-assembles; solubilizing; reducing toxicity; gold in MRI and tomography TFRC, FABP1, SCARB1 TSHR 1345/4885FAAH 205/4885TRPV1 3740/4885

“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.