SCHEMBL6515032

SCHEMBL6515032

CC1CCC(OC(=O)C/C(C(=O)O)=C(/CC(=O)OC2CCC(C)CC2)C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
HTT P42858 2/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NAAA Q02083 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
EPHX1 P07099 2/20 0.33
HCRTR2 O43614 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6515038 1.00 CYP19A1 (0.46) CYP19A1HTTAPOBEC3AAPOBEC3GNAAA
SCHEMBL6515199 0.85 CYP19A1 (0.41) CYP19A1HTTAPOBEC3AAPOBEC3GNAAA
SCHEMBL6519695 0.82 HTT (0.47) CYP19A1HTTAPOBEC3AAPOBEC3GNAAA
SCHEMBL6519704 0.82 HTT (0.47) CYP19A1HTTAPOBEC3AAPOBEC3GNAAA
SCHEMBL6513403 0.81 HTT (0.50) CYP19A1HTTNAAASMN1; SMN2KDM4E
SCHEMBL6513394 0.81 HTT (0.50) CYP19A1HTTNAAASMN1; SMN2KDM4E
SCHEMBL6523232 0.77 NAAA (0.49) CYP19A1HTTAPOBEC3AAPOBEC3GNAAA
SCHEMBL6523230 0.77 NAAA (0.49) CYP19A1HTTAPOBEC3AAPOBEC3GNAAA
SCHEMBL10174984 0.76 CYP19A1 (0.51) CYP19A1HTTAPOBEC3AAPOBEC3GNAAA
SCHEMBL14991180 0.75 CYP19A1 (0.44) CYP19A1NAAASMN1; SMN2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 CYP19A1 2315/4885HTT 3273/4885APOBEC3A 2949/4885

“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.