SCHEMBL21998655

SCHEMBL21998655

CCCCCCCCCCCCC(=O)NCCCN1CCCC1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 4/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52

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
SCHEMBL21998656 1.00 MAPK1 (0.56) MAPK1KDM4EALDH1A1HPGDTSHR
SCHEMBL21999368 1.00 MAPK1 (0.56) MAPK1KDM4EALDH1A1HPGDTSHR
Trimethylammonium SCHEMBL28144112 0.95 MAPK1 (0.52) MAPK1KDM4EALDH1A1HPGDTSHR
SCHEMBL5173365 0.93 KMT2A (0.58) MAPK1KDM4EALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL9066386 0.85 GAA (0.45) MAPK1KDM4EALDH1A1HPGDTSHR
SCHEMBL25880494 0.85 HPGD (0.52) MAPK1KDM4EALDH1A1HPGDTSHR
SCHEMBL6359808 0.85 RAB9A (0.60) MAPK1KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL17817027 0.84 RAB9A (0.49) MAPK1RAB9AKMT2ANPC1MEN1
SCHEMBL9549254 0.84 FAAH (0.44) MAPK1KDM4EALDH1A1HPGDTSHR
SCHEMBL9549058 0.84 FAAH (0.44) MAPK1KDM4EALDH1A1HPGDTSHR

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 MAPK1 4026/4885KDM4E 4414/4885ALDH1A1 2259/4885

“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.