SCHEMBL2962948

SCHEMBL2962948

CCCOCCCCOCCCCOC(=O)CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
NAAA Q02083 1/20 0.46
DGKA P23743 1/20 0.46
PAM P19021 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
PLA2G4B P0C869 2/20 0.39
AKR1B1 P15121 1/20 0.39
FAAH O00519 1/20 0.39
DNM1 Q05193 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 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
SCHEMBL3026309 1.00 HTR2C (0.49) HTR2CNAAADGKAPAMPRSS1
SCHEMBL27167197 0.93 HTR2C (0.57) HTR2CNAAADGKAPAMPRSS1
SCHEMBL2959859 0.91 DGKA (0.53) DGKAPAMPRSS1PRSS2PRSS3
SCHEMBL12392583 0.89 HTR2C (0.58) HTR2CNAAADGKAPAMPRSS1
SCHEMBL2956404 0.89 HTR2C (0.45) HTR2CNAAADGKAPAMPRSS1
SCHEMBL2959982 0.89 DGKA (0.48) HTR2CDGKAPAMNPC1LMNA
SCHEMBL2962823 0.89 DGKA (0.48) HTR2CDGKAPAMNPC1LMNA
SCHEMBL19557 0.86 HTR2C (0.62) HTR2CNAAADGKAPAMAKR1B1
SCHEMBL13821164 0.86 NPC1 (0.46) HTR2CNAAADGKANPC1LMNA
SCHEMBL27710492 0.86 NAAA (0.50) HTR2CNAAADGKAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8562957-B2 Oily hair cosmetics KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2013-10-22 US disclosed
US-20100203003-A1 Oily Hair Cosmetics KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-12 US disclosed
US-7766978-B2 Acidic hair dyeing method KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-03 US disclosed
US-20090100609-A1 ACIDIC HAIR DYE COMPOSITION KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2009-04-23 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 (2 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-20090100609-A1 ACIDIC HAIR DYE COMPOSITION H1-0, MRM1, H1-4 HTR2C 1756/4885NAAA 65/4885DGKA 2503/4885
US-20100203003-A1 Oily Hair Cosmetics H1-0, H1-2, H1-3 HTR2C 1995/4885NAAA 403/4885DGKA 781/4885

“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.