SCHEMBL3038244

SCHEMBL3038244

O=Cc1ccc(-c2ccccc2O)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
POLB P06746 4/20 0.63
LMNA P02545 2/20 0.63
ALDH1A1 P00352 8/20 0.56
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
PIK3CG P48736 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
HAO1 Q9UJM8 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3077834 0.80 HPGD (0.50) KDM4EPOLBLMNAALDH1A1PIK3CA
SCHEMBL1616299 0.78 KDM4E (0.58) KDM4EPOLBLMNAALDH1A1PIK3CG
SCHEMBL3043232 0.78 KDM4E (0.58) KDM4EPOLBLMNAALDH1A1PIK3CG
SCHEMBL31619046 0.78 KDM4E (0.58) KDM4EPOLBLMNAALDH1A1L3MBTL1
SCHEMBL10465024 0.78 KDM4E (0.58) KDM4EPOLBLMNAALDH1A1L3MBTL1
SCHEMBL2321506 0.78 KDM4E (0.58) KDM4EPOLBLMNAALDH1A1L3MBTL1
SCHEMBL2554480 0.77 POLB (1.00) KDM4EPOLBLMNAALDH1A1L3MBTL1
SCHEMBL5705025 0.77 ALDH1A1 (0.48) KDM4EPOLBLMNAALDH1A1PIK3CA
Hydrochloric Acid SCHEMBL5704941 0.76 ALDH1A1 (0.47) KDM4EPOLBLMNAALDH1A1PIK3CA
SCHEMBL6010140 0.76 PIK3CA (0.57) KDM4EPOLBLMNAALDH1A1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466291-B2 1,5-dideoxy-1,5-imino-D-glucitol compounds ACADEMIA SINICA (TW) 2013-06-18 US disclosed
US-8466291-B2 1,5-dideoxy-1,5-imino-D-glucitol compounds ACADEMIA SINICA (TW) 2013-06-18 US disclosed
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 US disclosed
US-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds ACADEMIA SINICA (TW) 2010-05-06 US disclosed
US-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds ACADEMIA SINICA (TW) 2010-05-06 US disclosed
WO-2008005651-A2 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS DECODE CHEMISTRY, INC. (US) 2008-01-10 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 (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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 KDM4E 4138/4885POLB 1558/4885LMNA 3523/4885
US-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds HEXD, GALE, GBA1 KDM4E 3356/4885POLB 1926/4885LMNA 1440/4885

“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.