SCHEMBL18375396

SCHEMBL18375396

C=CCOC(=O)c1c(C)cccc1OP(=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
RHOA P61586 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL20586922 0.88 CYP3A4 (0.37) CYP3A4TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL18375549 0.79 CA12 (0.41) CYP3A4TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL18375789 0.77 ALDH1A1 (0.41) CYP3A4TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL11800019 0.73 CYP3A4 (0.65) CYP3A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL18375540 0.73 CA1 (0.57) CYP3A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL429496 0.72 CYP3A4 (0.56) CYP3A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL8786599 0.72 ALDH1A1 (0.59) CYP3A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL27438623 0.68 CYP3A4 (0.61) CYP3A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL8786627 0.68 TDP1 (0.56) CYP3A4ALDH1A1KMT2AMEN1MAPT
SCHEMBL28669511 0.68 KDM4E (0.43) CYP3A4ALDH1A1KMT2AMEN1MAPT

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 CYP3A4 4647/4885TAS1R3 1939/4885TAS1R1 986/4885

“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.