SCHEMBL4851399

SCHEMBL4851399

CC(=O)Oc1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CYP2A6 P11509 2/20 0.47
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL2761209 0.83 BCL2L1 (0.56) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29287403 0.83 BCL2L1 (0.52) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31544522 0.83 BCL2L1 (0.45) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5198179 0.82 HDAC3 (0.49) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL526115 0.81 BCL2L1 (0.50) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9263208 0.81 SLC9A1 (0.50) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10951516 0.81 CYP2A6 (0.47) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23751268 0.78 ALOX5 (0.47) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9399940 0.78 ALOX5 (0.47) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9257995 0.78 KMT2A (0.45) BCL2L1HDAC3HDAC4HDAC1HDAC7

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102993068-B Electronic transmission layer polymer for solar cell LIYANG PRODUCTIVITY PROMOTION CT 2015-01-07 CN claimed
CN-102976986-B Method for manufacturing polymer used as electron transfer layer of solar cell LIYANG CITY PRODUCTIVITY PROMOTION CT 2014-12-10 CN claimed
CN-103030581-A Method for manufacturing electron transfer layer in solar cell LIYANG PRODUCTIVITY PROMOTION CT 2013-04-10 CN claimed
CN-102993068-A Electronic transmission layer polymer for solar cell LIYANG PRODUCTIVITY PROMOTION CT 2013-03-27 CN claimed
CN-102976986-A Method for manufacturing polymer used as electron transfer layer of solar cell LIYANG CITY PRODUCTIVITY PROMOTION CT 2013-03-20 CN claimed
CN-102952062-A Substituted benzoheterocyclic compounds and preparation method and application thereof INST MEDICINAL BIOTECHNOLOGY 2013-03-06 CN claimed
CN-102391164-A Diaryl thioether compound, preparation method and anti-tumor application thereof UNIV CENTRAL SOUTH 2012-03-28 CN claimed
CN-102952062-B Replace benzo-heterocycle compound and its preparation method and application 中国医学科学院医药生物技术研究所 2016-06-08 CN disclosed
CN-102993068-B Electronic transmission layer polymer for solar cell LIYANG PRODUCTIVITY PROMOTION CT 2015-01-07 CN disclosed
CN-102976986-B Method for manufacturing polymer used as electron transfer layer of solar cell LIYANG CITY PRODUCTIVITY PROMOTION CT 2014-12-10 CN disclosed
CN-104003918-A Diaryl thioether compound, preparation method and antitumor application thereof UNIV CENTRAL SOUTH 2014-08-27 CN disclosed
CN-102391164-B Diaryl thioether compound, preparation method and anti-tumor application thereof UNIV CENTRAL SOUTH 2014-08-13 CN disclosed
CN-102993068-A Electronic transmission layer polymer for solar cell LIYANG PRODUCTIVITY PROMOTION CT 2013-03-27 CN disclosed
US-6437144-B2 CYCLOCARBONYLATION HOFFMANN-LA ROCHE INC. 2002-08-20 US disclosed
US-20020077488-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-06-20 US disclosed
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-01-24 US disclosed
US-6291685-B1 REACTING 1-(2-THIENYL)ALLYL DERIVATIVE IN SOLVENT MEDIUM CONTAINING BASE AND CARBOXYLIC ACID ANHYDRIDE WITH CARBON MONOXIDE IN PRESENCE OF CARBONYLATION CATALYST TO FORM ESTER COMPOUND; SAPONIFICATION TO FORM 4-HYDROXYBENZOTHIOPHENE HOFFMANN-LA ROCHE INC. 2001-09-18 US disclosed
EP-1078923-A2 Process for the preparation of benzothiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-02-28 EP disclosed
US-4482553-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1984-11-13 US disclosed
EP-0122156-A2 Improvements in or relating to benzothienylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP 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-20020077488-A1 Methods for the preparation of 4-hydroxy benzothiophene SLC5A2, SLC5A1, TST BCL2L1 4146/4885HDAC3 944/4885HDAC4 191/4885
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene SLC5A2, TST, SLC5A1 BCL2L1 3260/4885HDAC3 784/4885HDAC4 108/4885

“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.