SCHEMBL22249252

SCHEMBL22249252

OB(O)c1ccccc1C1CCCC2C(CCC1)C2c1ccccc1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HTR2C P28335 2/20 0.32
ENPP2 Q13822 1/20 0.32
PTGS2 P35354 1/20 0.31
PTPN5 P54829 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL29567858 0.89 ENPP2 (0.38) PTGDR2HTR2CENPP2PTGS2MEN1
SCHEMBL3783738 0.89 ENPP2 (0.38) PTGDR2HTR2CENPP2PTGS2MEN1
SCHEMBL3787321 0.86 PTGDR2 (0.40) PTGDR2HTR2CENPP2PTGS2MEN1
SCHEMBL17061132 0.84 PTGDR2 (0.42) NOS1PTGDR2HTR2CENPP2PTGS2
SCHEMBL2652565 0.84 PTGDR2 (0.42) NOS1PTGDR2HTR2CENPP2PTGS2
SCHEMBL29469211 0.82 ENPP2 (0.40) HTR2CENPP2MEN1KMT2A
SCHEMBL3784784 0.82 ENPP2 (0.40) HTR2CENPP2MEN1KMT2A
SCHEMBL8216158 0.77 ALDH1A1 (0.34) ENPP2MEN1KMT2A
SCHEMBL3791444 0.76 NOS3 (0.34) NOS3NOS1NOS2HTR2C
SCHEMBL8724934 0.75 ENPP2 (0.40) HTR2CENPP2MEN1KMT2A

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-11369295-B2 Silicone hydrogel based fluorescent assay and contact lens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-06-28 US disclosed
US-20200229740-A1 Silicone Hydrogel Based Fluorescent Assay and Contact Lens NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-23 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-11369295-B2 Silicone hydrogel based fluorescent assay and contact lens CD44, CRYAA, IGFBP1 NOS3 2968/4885NOS1 2521/4885NOS2 2914/4885
US-20200229740-A1 Silicone Hydrogel Based Fluorescent Assay and Contact Lens CD44, CRYAA, IGFBP1 NOS3 2968/4885NOS1 2521/4885NOS2 2914/4885

“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.