SCHEMBL10076562

SCHEMBL10076562

Cc1cccc(Oc2ccc(Cl)cc2O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
TTR P02766 1/20 0.53
PGR P06401 1/20 0.53
HSP90AA1 P07900 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.53
HSPA5 P11021 1/20 0.53
HPGD P15428 1/20 0.53
CBR1 P16152 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
AGTR1 P30556 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL5989737 0.87 L3MBTL1 (0.63) L3MBTL1LMNAMAPTHPGDHTR2C
SCHEMBL15463289 0.86 ALDH1A1 (0.54) L3MBTL1LMNATTRALDH1A1GAA
SCHEMBL12879326 0.83 L3MBTL1 (0.71) L3MBTL1NR1I2LMNATTRPGR
SCHEMBL13778174 0.81 TTR (0.58) NR1I2LMNATTRPGRHSP90AA1
SCHEMBL10940178 0.81 CYP1A2 (0.62) NR1I2LMNATTRPGRHSP90AA1
SCHEMBL29352050 0.81 CYP1A2 (0.62) NR1I2LMNATTRPGRHSP90AA1
SCHEMBL19294249 0.81 TTR (0.67) L3MBTL1NR1I2LMNATTRPGR
SCHEMBL2058923 0.81 TTR (0.53) L3MBTL1NR1I2LMNATTRPGR
SCHEMBL10053116 0.80 MAPT (0.49) L3MBTL1NR1I2LMNATTRPGR
SCHEMBL20624737 0.80 TTR (0.49) L3MBTL1NR1I2LMNATTRPGR

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-20170164615-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH, INC. 2017-06-15 US disclosed
US-9585396-B2 Volatile applications against pathogens AGROFRESH INC. (US) 2017-03-07 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 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-20170164615-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, TIAL1, VAPB L3MBTL1 80/4885NR1I2 1399/4885LMNA 3005/4885

“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.