SCHEMBL1786006

SCHEMBL1786006

CC(=Cc1ccc(F)cc1O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
APEX1 P27695 2/20 0.40
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
DHODH Q02127 3/20 0.38
KDM4E B2RXH2 1/20 0.37
CAPN1 P07384 1/20 0.36
CAPN2 P17655 1/20 0.36
MAOB P27338 1/20 0.36
EGFR P00533 2/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL1786005 1.00 AKR1C3 (0.43) AKR1C3APEX1CA3CA6CA5A
SCHEMBL1920614 0.84 AKR1C3 (0.44) AKR1C3APEX1DHODH
SCHEMBL1920180 0.84 AKR1C3 (0.44) AKR1C3APEX1DHODH
SCHEMBL1920181 0.84 AKR1C3 (0.44) AKR1C3APEX1DHODH
SCHEMBL28791756 0.83 AKR1C3 (0.43) AKR1C3APEX1DHODHCAPN1CAPN2
SCHEMBL1431701 0.82 AKR1C3 (0.46) AKR1C3APEX1CA3CA6CA5A
SCHEMBL24176985 0.79 AKR1C3 (0.43) AKR1C3APEX1CA6CA9CA14
SCHEMBL2394989 0.79 AKR1C3 (0.43) AKR1C3APEX1
SCHEMBL2394991 0.79 AKR1C3 (0.43) AKR1C3APEX1
SCHEMBL9358828 0.77 TRIM24 (0.60) APEX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-05-26 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-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma GRK5, ADRB2, GRK2 AKR1C3 275/4885APEX1 4536/4885CA3 2926/4885

“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.