SCHEMBL3908462

SCHEMBL3908462

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CO)CO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 8/20 0.43
DGKA P23743 1/20 0.42

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
SCHEMBL28284649 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL18679878 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL1537692 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL19367023 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL1499895 1.00 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL18679884 0.93 NAAA (0.46) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL8384168 0.92 ALDH1A1 (0.50) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL12834794 0.86 PRKCA (0.35) NAAATSHRNPSR1ALDH1A1
SCHEMBL862911 0.85 ALDH1A1 (0.47) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL4074831 0.85 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004124-A1 Systems and methods for delivery of materials for agriculture and aquaculture LANDEC CORPORATION 2010-01-07 US disclosed
US-20090263346-A1 Systems and methods for delivery of drugs LANDEC CORPORATION 2009-10-22 US disclosed
US-20090246155-A1 Compositions and methods for personal care LANDEC CORPORATION 2009-10-01 US disclosed
US-7504531-B2 Processes for preparing difunctional compounds XEROX CORPORATION (US) 2009-03-17 US disclosed
US-20070255038-A1 Processes for preparing difunctional compounds XEROX CORPORATION (US) 2007-11-01 US disclosed
US-20070255071-A1 PROCESSES FOR PREPARING DIFUNCTIONAL COMPOUNDS XEROX CORPORATION (US) 2007-11-01 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 (4 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-20090263346-A1 Systems and methods for delivery of drugs CYCS, CTRC, PPIC NAAA 2560/4885EPHX1 2864/4885TSHR 3231/4885
US-20090246155-A1 Compositions and methods for personal care PPIC, CYCS, CTRC NAAA 3620/4885EPHX1 3342/4885TSHR 3387/4885
US-20100004124-A1 Systems and methods for delivery of materials for agriculture and aquaculture CYCS, PCCA, CRYAA NAAA 702/4885EPHX1 2792/4885TSHR 4616/4885
US-20070255071-A1 PROCESSES FOR PREPARING DIFUNCTIONAL COMPOUNDS ABL2, ABL1, PAICS NAAA 111/4885EPHX1 1431/4885TSHR 3934/4885

“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.