SCHEMBL9916136

SCHEMBL9916136

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
EPHX1 P07099 1/20 0.40
HTT P42858 2/20 0.40
HMGCR P04035 3/20 0.39
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 3/20 0.36
FKBP1A P62942 4/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CACNA1B Q00975 2/20 0.33

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
SCHEMBL9916134 0.98 NAAA (0.46) NAAAEPHX1HTTHMGCRCYP2C19
SCHEMBL16784766 0.93 APOBEC3A (0.37) NAAAEPHX1HTTHMGCRCYP19A1
SCHEMBL17589175 0.85 ALDH1A1 (0.33) NAAAHMGCRCYP19A1APOBEC3AAPOBEC3G
SCHEMBL17550540 0.83 NAAA (0.46) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL15681467 0.83 CYP19A1 (0.44) HMGCRCYP19A1FKBP1A
SCHEMBL2734982 0.83 HMGCR (0.37) NAAAEPHX1HTTHMGCRCYP19A1
SCHEMBL132134 0.83 EPHX1 (0.47) NAAAEPHX1HTTHMGCRCYP2C19
SCHEMBL685983 0.82 NAAA (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL16591000 0.82 HMGCR (0.36) NAAAEPHX1HTTHMGCRCYP19A1
SCHEMBL15681469 0.82 HMGCR (0.41) HMGCRFKBP1AAPOBEC3AAPOBEC3G

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.