SCHEMBL9723253

SCHEMBL9723253

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
EPHX1 P07099 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
SERPINE1 P05121 1/20 0.33
MMP12 P39900 1/20 0.33
HCRTR2 O43614 2/20 0.33
NAAA Q02083 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
SCHEMBL14991180 1.00 CYP19A1 (0.44) CYP19A1EPHX1SMN1; SMN2NPC1ALDH1A1
SCHEMBL14991039 1.00 CYP19A1 (0.44) CYP19A1EPHX1SMN1; SMN2NPC1ALDH1A1
SCHEMBL14609552 0.93 CYP19A1 (0.41) CYP19A1EPHX1SMN1; SMN2NPC1ALDH1A1
SCHEMBL13321805 0.93 CYP19A1 (0.41) CYP19A1EPHX1SMN1; SMN2NPC1ALDH1A1
SCHEMBL13321802 0.87 CYP19A1 (0.38) CYP19A1EPHX1SMN1; SMN2NPC1ALDH1A1
SCHEMBL5548750 0.86 EPHX1 (0.42) CYP19A1EPHX1SMN1; SMN2MAPTSERPINE1
SCHEMBL13698877 0.83 CYP19A1 (0.38) CYP19A1SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL16714026 0.82 CYP19A1 (0.43) CYP19A1EPHX1SMN1; SMN2NPC1ALDH1A1
SCHEMBL9723249 0.82 CYP19A1 (0.43) CYP19A1EPHX1SMN1; SMN2NPC1ALDH1A1
SCHEMBL938461 0.82 CYP19A1 (0.43) CYP19A1EPHX1SMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-11-30 US disclosed
WO-2023168254-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 WO disclosed
US-20130144080-A1 PROCESS FOR OBTAINING A DIALKYL CARBONATE AND AN ALKYLENE GLYCOL BASF SE (DE) 2013-06-06 US disclosed
US-5098886-A Mixing compounds to improve odor INTERNATIONAL FLAVORS & FRAGRANCES INC., A CORP. OF NEW YORK 1992-03-24 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 (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-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME EIF2AK2, MAVS, ZC3HAV1 CYP19A1 4401/4885EPHX1 2624/4885SMN1; SMN2 1294/4885
US-20130144080-A1 PROCESS FOR OBTAINING A DIALKYL CARBONATE AND AN ALKYLENE GLYCOL AGL, GNE, ADH1C CYP19A1 3252/4885EPHX1 3759/4885SMN1; SMN2 3303/4885

“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.