SCHEMBL18914534

SCHEMBL18914534

C=C(C)c1cc(C)ccc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.50
NR4A2 P43354 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL15762092 0.93 CYP46A1 (0.50) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL1206018 0.87 CYP46A1 (0.57) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL18354480 0.85 CYP46A1 (0.53) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL14684038 0.81 CYP46A1 (0.53) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL3927627 0.81 CSNK2A1 (0.55) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL25440534 0.81 CSNK2A1 (0.44) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL18374571 0.81 KDM4E (0.57) NR4A2CA12CA1CA2CA7
SCHEMBL15273593 0.81 SLC6A4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL1820394 0.80 CSNK2A1 (0.40) TDP1SMN1; SMN2GAAMAPTHPGD
SCHEMBL29749725 0.80 CSNK2A1 (0.40) TDP1SMN1; SMN2GAAMAPTHPGD

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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
WO-2017090743-A1 NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2017-06-01 WO 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 CYP46A1 20/4885NR4A2 2848/4885TDP1 3118/4885

“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.