SCHEMBL9916130

SCHEMBL9916130

CCC(C)C(=O)OCC(=O)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
EPHX1 P07099 2/20 0.41
HTT P42858 2/20 0.41
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 3/20 0.37
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL9916135 0.98 NAAA (0.47) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL2681050 0.84 EPHX1 (0.47) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL17550552 0.83 NAAA (0.47) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL786258 0.82 EPHX1 (0.50) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL1350834 0.80 EPHX1 (0.43) NAAAEPHX1HTTCYP19A1EPHX2
SCHEMBL17736519 0.79 HTT (0.33) HTTTSHRKMT2AMEN1
SCHEMBL4672689 0.79 NAAA (0.51) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL12705246 0.77 NAAA (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL7062004 0.77 NAAA (0.53) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL3266694 0.77 EPHX2 (0.37) EPHX1EPHX2ALDH1A1KMT2AMEN1

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-8859183-B2 N-acyl-β-lactam derivative, macromolecular compound, and photoresist composition KURARAY CO., LTD. (JP) 2014-10-14 US disclosed
US-8753794-B2 N-acyl-β-lactam derivative, macromolecular compound, and photoresist composition KURARAY CO., LTD. (JP) 2014-06-17 US disclosed
US-20140038106-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2014-02-06 US disclosed
US-8486606-B2 Acrylate derivative, haloester derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-07-16 US disclosed
US-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-20110117497-A1 ACRYLATE DERIVATIVE, HALOESTER DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2011-05-19 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-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION COASY, ARCN1, CLTB NAAA 326/4885EPHX1 4678/4885HTT 3362/4885
US-20110117497-A1 ACRYLATE DERIVATIVE, HALOESTER DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ARCN1, H1-10, RER1 NAAA 2974/4885EPHX1 2464/4885HTT 830/4885

“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.