SCHEMBL3537796

SCHEMBL3537796

CC(C)Oc1ccc(O)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.45
MKNK2 Q9HBH9 1/20 0.44
PARP10 Q53GL7 1/20 0.44
POLB P06746 1/20 0.42
ESR1 P03372 1/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
GLA P06280 1/20 0.41
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL31617906 0.84 ALDH1A1 (0.47) ALDH1A1KMT2APARP10POLBTHRA
SCHEMBL8633948 0.83 KMT2A (0.39) ALDH1A1KMT2AALOX15PARP10POLB
SCHEMBL8635590 0.81 POLB (0.45) ALDH1A1POLBESR1THRATHRB
SCHEMBL8634860 0.81 PTGIR (0.39) ALDH1A1KMT2AALOX15PARP10POLB
SCHEMBL1052924 0.81 ALDH1A1 (0.52) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL9256790 0.81 ALDH1A1 (0.47) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL8631823 0.80 ALOX15 (0.59) ALDH1A1KMT2AALOX15PARP10POLB
SCHEMBL20560481 0.80 ALOX15 (0.46) ALDH1A1KMT2AALOX15MKNK2POLB
SCHEMBL28161679 0.79 ALDH1A1 (0.50) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL320713 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AALOX15MKNK2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954793-A Compounds as xanthine oxidase inhibitors and uses thereof 广州市联瑞制药有限公司 2025-05-09 CN disclosed
CN-104011021-A Heterocyclic derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD 2014-08-27 CN disclosed
EP-2658844-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-11-06 EP disclosed
WO-2012089633-A9 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-08-23 WO disclosed
WO-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed
WO-2012089633-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-07-05 WO disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US disclosed
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2009-11-12 US disclosed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US disclosed
US-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 US disclosed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP disclosed
CN-1731993-A Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis c viral infections and associated diseases VIROPHARMA INC (US) 2006-02-08 CN disclosed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP disclosed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US disclosed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 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 (3 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 ALDH1A1 189/4885KMT2A 3435/4885ALOX15 440/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 ALDH1A1 189/4885KMT2A 3435/4885ALOX15 440/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ALDH1A1 189/4885KMT2A 3435/4885ALOX15 440/4885

“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.