SCHEMBL4401773

SCHEMBL4401773

CCCC(C)C(C)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 2/20 0.38
METAP1 P53582 1/20 0.38
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PLA2G2C Q5R387 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL14435659 0.82 TRPV1 (0.44) TRPV1ALDH1A1METAP1HDAC7HDAC8
SCHEMBL8247672 0.81 TRPV1 (0.42) TRPV1ALDH1A1NFKB1TSHRKDM4E
SCHEMBL8145356 0.81 TRPV1 (0.42) TRPV1ALDH1A1NFKB1TSHRKDM4E
SCHEMBL8437041 0.81 TRPV1 (0.42) TRPV1ALDH1A1NFKB1TSHRKDM4E
SCHEMBL8144552 0.81 TRPV1 (0.42) TRPV1ALDH1A1NFKB1TSHRKDM4E
SCHEMBL8134506 0.81 TRPV1 (0.42) TRPV1ALDH1A1NFKB1TSHRKDM4E
SCHEMBL8145207 0.81 TRPV1 (0.42) TRPV1ALDH1A1NFKB1TSHRKDM4E
SCHEMBL28905054 0.81 TRPV1 (0.42) TRPV1ALDH1A1NFKB1TSHRKDM4E
SCHEMBL13689498 0.77 PLA2G2C (0.44) TRPV1PLA2G2CMAPTSIRT6SIRT1
SCHEMBL19861605 0.77 TRPV1 (0.41) TRPV1ALDH1A1NFKB1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114595-A1 SUGAR CHAIN-ADDED AILIM EXTRACELLULAR DOMAIN AND METHOD FOR PRODUCING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2012-05-10 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-20120114595-A1 SUGAR CHAIN-ADDED AILIM EXTRACELLULAR DOMAIN AND METHOD FOR PRODUCING SAME SIGLEC7, ENGASE, SIGLEC9 TRPV1 3592/4885ALDH1A1 1940/4885METAP1 3198/4885

“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.