SCHEMBL18375540

SCHEMBL18375540

C=CCOC(=O)c1c(C)cccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA12 O43570 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
APP P05067 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 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
SCHEMBL11800019 0.84 CYP3A4 (0.65) CA1CA2CA12CA7CA9
SCHEMBL429496 0.83 CYP3A4 (0.56) CA1CA2CYP3A4ALDH1A1HSD17B10
SCHEMBL8786599 0.83 ALDH1A1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL11303033 0.83 CYP3A4 (0.67) CA1CA2CA12CA7CA9
SCHEMBL147754 0.82 CA12 (0.85) CA1CA2CA12CA7CA9
SCHEMBL4603952 0.80 CYP3A4 (0.50) CA1CA2CA12CA7CA9
SCHEMBL27438623 0.79 CYP3A4 (0.61) CA1CA2CYP3A4ALDH1A1HSD17B10
SCHEMBL7601281 0.79 NR1H2 (0.51) CA1CA2CA12CA7CA9
SCHEMBL8786627 0.79 TDP1 (0.56) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL9364125 0.78 CYP3A4 (0.65) CYP3A4ALDH1A1HSD17B10TSHRMAPT

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-20180362485-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP l, TLL1 AND/OR TLL2 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-12-20 US disclosed
WO-2017006296-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-12 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-20180362485-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP l, TLL1 AND/OR TLL2 INHIBITORS BMP1, BMP2, BMPR1A CA1 4142/4885CA2 3357/4885CA12 4360/4885

“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.