SCHEMBL21998891

SCHEMBL21998891

CCCCCCCCCCCCC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.65
HPGD P15428 5/20 0.64
HSD17B10 Q99714 2/20 0.64
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
EPHX2 P34913 1/20 0.58

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
SCHEMBL21998898 1.00 TRPV1 (0.65) TRPV1HPGDHSD17B10POLBTDP1
SCHEMBL12980467 1.00 TRPV1 (0.65) TRPV1HPGDHSD17B10POLBTDP1
SCHEMBL21998935 1.00 TRPV1 (0.65) TRPV1HPGDHSD17B10POLBTDP1
SCHEMBL17770653 1.00 TRPV1 (0.65) TRPV1HPGDHSD17B10POLBTDP1
SCHEMBL29196210 0.89 HPGD (0.70) HPGDHSD17B10POLBTDP1KMT2A
SCHEMBL17715731 0.87 HPGD (0.61) HPGDHSD17B10POLBTDP1KMT2A
SCHEMBL20577003 0.87 KMT2A (0.55) TRPV1HPGDHSD17B10POLBKMT2A
SCHEMBL21998657 0.86 HDAC1 (0.66) TRPV1HSD17B10KMT2AALDH1A1LMNA
SCHEMBL179082 0.86 HPGD (0.73) HPGDHSD17B10POLBTDP1KMT2A
SCHEMBL17690748 0.86 HPGD (0.67) HPGDHSD17B10POLBTDP1KMT2A

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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH TRPV1 368/4885HPGD 169/4885HSD17B10 513/4885

“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.