SCHEMBL5060820

SCHEMBL5060820

CN(C)CC/N=C1\c2ccccc2COc2cc(CC(=O)O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.64
HRH1 P35367 2/20 0.57
LMNA P02545 1/20 0.57
PARP1 P09874 1/20 0.45

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
SCHEMBL5060821 1.00 AKR1B1 (0.64) AKR1B1HRH1LMNAPARP1
SCHEMBL9750101 1.00 AKR1B1 (0.64) AKR1B1HRH1LMNAPARP1
SCHEMBL5056479 0.94 AKR1B1 (0.61) AKR1B1HRH1LMNAPARP1
SCHEMBL5056486 0.94 AKR1B1 (0.61) AKR1B1HRH1LMNAPARP1
SCHEMBL9749982 0.94 AKR1B1 (0.61) AKR1B1HRH1LMNAPARP1
SCHEMBL5056472 0.92 HRH1 (0.66) AKR1B1HRH1LMNAPARP1
SCHEMBL5056474 0.92 HRH1 (0.66) AKR1B1HRH1LMNAPARP1
SCHEMBL8782255 0.92 HRH1 (0.66) AKR1B1HRH1LMNAPARP1
SCHEMBL9750044 0.89 AKR1B1 (0.49) AKR1B1HRH1LMNAPARP1
SCHEMBL5060352 0.89 AKR1B1 (0.49) AKR1B1HRH1LMNAPARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139531-A1 USE OF CONNECTIVE TISSUE MAST CELL STABILIZERS TO FACILITATE OCULAR SURFACE RE-EPITHELIZATION AND WOUND REPAIR ALCON MANUFACTURING LTD. (US) 2008-06-12 US claimed
US-20080139531-A1 USE OF CONNECTIVE TISSUE MAST CELL STABILIZERS TO FACILITATE OCULAR SURFACE RE-EPITHELIZATION AND WOUND REPAIR ALCON MANUFACTURING LTD. (US) 2008-06-12 US disclosed
US-5116863-A Antiallergens, antiinflammatory agents; asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 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-20080139531-A1 USE OF CONNECTIVE TISSUE MAST CELL STABILIZERS TO FACILITATE OCULAR SURFACE RE-EPITHELIZATION AND WOUND REPAIR CMA1, LTK, KIT AKR1B1 2241/4885HRH1 35/4885LMNA 3550/4885

“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.