SCHEMBL8825845

SCHEMBL8825845

CCC(=O)[C@@H](CNC(=O)C(C)(C)C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
RIPK1 Q13546 1/20 0.44
PPARG P37231 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CPA1 P15085 2/20 0.41
CPA3 P15088 2/20 0.41
FOLH1 Q04609 2/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41

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
SCHEMBL684802 0.87 POLB (0.51) POLBCYP1A2SMN1; SMN2PPARGALDH1A1
SCHEMBL686772 0.83 MTNR1A (0.52) CYP1A2PPARGMMP2MTNR1AMTNR1B
SCHEMBL8827969 0.78 NPSR1 (0.52) POLBNPC1RAB9AMMP2CPA1
SCHEMBL8827964 0.78 NPSR1 (0.52) POLBNPC1RAB9AMMP2CPA1
SCHEMBL1709339 0.77 CYP1A2 (0.64) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL1709283 0.77 CYP1A2 (0.64) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL20021560 0.75 MTNR1A (0.57) CYP1A2PPARGMTNR1AMTNR1BCPA1
SCHEMBL28106264 0.74 HDAC3 (0.57) POLBCYP1A2CPA1CPA3FOLH1
SCHEMBL18637642 0.74 CYP1A2 (0.55) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL28106233 0.74 HDAC3 (0.57) POLBCYP1A2CPA1CPA3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 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 (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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 POLB 1846/4885CYP1A2 4824/4885SMN1; SMN2 4549/4885

“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.