SCHEMBL4901016

SCHEMBL4901016

CCCCCCOC(=O)CC=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
DGKA P23743 1/20 0.53
FAAH O00519 2/20 0.53
HTR2C P28335 1/20 0.51
HCAR2 Q8TDS4 2/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 2/20 0.48
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
DNM1 Q05193 1/20 0.44

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
SCHEMBL28301942 1.00 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH
SCHEMBL28129434 1.00 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH
SCHEMBL16741941 1.00 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH
SCHEMBL7627118 1.00 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH
SCHEMBL10714622 1.00 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH
SCHEMBL4910652 0.98 NAAA (0.61) NAAARAD52NPSR1DGKAFAAH
SCHEMBL3964880 0.92 ATM (0.54) NAAARAD52NPSR1DGKAFAAH
SCHEMBL6344659 0.86 NAAA (0.67) NAAARAD52NPSR1DGKAFAAH
SCHEMBL6346158 0.86 NAAA (0.67) NAAARAD52NPSR1DGKAFAAH
SCHEMBL11151521 0.86 NAAA (0.67) NAAARAD52NPSR1DGKAFAAH

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
CN-115151527-A Process for the preparation of cyanoacetic esters 汉高股份有限及两合公司 2022-10-04 CN disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-0746306-A1 BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1996-12-11 EP disclosed
WO-1995023585-A1 BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1995-09-08 WO 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 NAAA 4612/4885RAD52 4574/4885NPSR1 409/4885

“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.