SCHEMBL3631075

SCHEMBL3631075

CCCC(C(N)=O)C(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.52
ALOX5 P09917 1/20 0.46
AOC3 Q16853 2/20 0.44
GPR88 Q9GZN0 1/20 0.42
EPHX1 P07099 1/20 0.42
POLB P06746 2/20 0.42
TRPM8 Q7Z2W7 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
SCHEMBL4183112 0.89 MME (0.50) MMEALOX5POLB
SCHEMBL9843968 0.84 AOC3 (0.45) MMEALOX5AOC3GPR88EPHX1
SCHEMBL27820666 0.83 MME (0.46) MME
SCHEMBL5607432 0.81 CYP2C19 (0.46) MMEALOX5EPHX1
SCHEMBL11862111 0.80 SOAT1 (0.46) MME
SCHEMBL11862095 0.80 SOAT1 (0.46) MME
SCHEMBL2563024 0.80 ALOX5 (0.41) MMEALOX5EPHX1TRPM8
SCHEMBL11042231 0.78 HMGCR (0.44) MMEPOLB
SCHEMBL11593762 0.78 KDM4E (0.49)
SCHEMBL20072245 0.78 TAAR1 (0.49) MMEALOX5EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP MME 44/4885ALOX5 2716/4885AOC3 3669/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP MME 44/4885ALOX5 2716/4885AOC3 3669/4885

“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.