SCHEMBL3123073

SCHEMBL3123073

CCCCC=C/C=C\C=O

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.86
ALDH1A1 P00352 3/20 0.86
FASN P49327 1/20 0.45
FAAH O00519 4/20 0.44
TRPV1 Q8NER1 2/20 0.44
TRPA1 O75762 3/20 0.42
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11155770 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL27092728 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL230877 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL11155763 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL17627772 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL3112313 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL11155765 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL230878 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL309970 1.00 TSHR (0.86) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL16162666 0.93 TSHR (0.83) TSHRALDH1A1FASNFAAHTRPV1

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-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 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-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 TSHR 4102/4885ALDH1A1 502/4885FASN 1883/4885

“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.