SCHEMBL29311822

SCHEMBL29311822

O=C(OC1CCCCC1)C1CC2CC1C1C3CCC(C3)C21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
EPHX1 P07099 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
HSD11B1 P28845 1/20 0.32
CYP2C19 P33261 1/20 0.31
NAAA Q02083 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL17974541 0.84 CHRM2 (0.34) FABP7FABP5EPHX1CHRM2CHRM4
SCHEMBL30209917 0.81 CYP3A4 (0.36) FABP7FABP5EPHX1CHRM2CHRM4
SCHEMBL30209960 0.79 CYP3A4 (0.34) FABP7FABP5CHRM2CHRM4CHRM5
SCHEMBL13103753 0.79 EPHX1 (0.38) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2681392 0.78 EPHX1 (0.38) FABP7FABP5EPHX1CHRM2CHRM4
SCHEMBL9908326 0.77 CYP1A2 (0.37) CHRM2CHRM4CHRM3CYP2C19
SCHEMBL21654483 0.77 CYP1A2 (0.37) CHRM2CHRM4CHRM3CYP2C19
SCHEMBL14316058 0.77
SCHEMBL13103754 0.77 EPHX1 (0.36) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13103771 0.76 EPHX1 (0.36) EPHX1CHRM2CHRM4CHRM5CHRM1

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-20240228412-A1 PRODUCTION METHOD FOR PRODUCING DIMETHANOL COMPOUND HAVING NORBORNANE SKELETON MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-07-11 US disclosed
US-20240228412-A1 PRODUCTION METHOD FOR PRODUCING DIMETHANOL COMPOUND HAVING NORBORNANE SKELETON MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-07-11 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-20240228412-A1 PRODUCTION METHOD FOR PRODUCING DIMETHANOL COMPOUND HAVING NORBORNANE SKELETON DHCR7, DBH, ADH5 FABP7 3409/4885FABP5 3422/4885EPHX1 506/4885

“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.