SCHEMBL18125232

SCHEMBL18125232

CCCC[C@@H](C)CNCCO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 1/20 0.39
SLC15A1 P46059 1/20 0.35
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
CNR1 P21554 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
EPHX1 P07099 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
SCHEMBL18125162 1.00 TSHR (0.39) TSHRALDH1A1CYP3A4SLC15A1ANPEP
SCHEMBL11806787 1.00 TSHR (0.39) TSHRALDH1A1CYP3A4SLC15A1ANPEP
SCHEMBL11802674 0.94 ACE2 (0.40) TSHRALDH1A1ANPEPERAP2CNR1
SCHEMBL11799490 0.92 ACE2 (0.43) TSHRALDH1A1CYP3A4ANPEPERAP2
SCHEMBL7962706 0.87 TSHR (0.54) TSHRANPEP
SCHEMBL12285467 0.85 TSHR (0.43) TSHRALDH1A1CYP3A4SLC15A1ANPEP
SCHEMBL17919006 0.85 TSHR (0.43) TSHRALDH1A1CYP3A4SLC15A1ANPEP
SCHEMBL172661 0.85 TSHR (0.46) TSHRALDH1A1CYP3A4SLC15A1ANPEP
SCHEMBL6119034 0.83 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4SLC15A1CNR1
SCHEMBL20036791 0.83 TSHR (0.52) TSHRALDH1A1CYP3A4ANPEPERAP2

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-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 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-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885ALDH1A1 3811/4885CYP3A4 4409/4885

“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.