SCHEMBL3321641

SCHEMBL3321641

CC(C)(C)C(=O)C(Br)C(=O)C(C)(C)C.CC(C)(C)C(=O)C(Br)C(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
CYP2C19 P33261 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL330404 1.00 ALDH1A1 (0.32) ALDH1A1THRBRECQLL3MBTL1HSP90AA1
SCHEMBL1605045 0.80
SCHEMBL11360667 0.80 CYP2C19 (0.37) ALDH1A1THRBRECQLL3MBTL1HSP90AA1
SCHEMBL8199232 0.79 SMN1; SMN2 (0.37) ALDH1A1
SCHEMBL6218904 0.78
SCHEMBL5493506 0.76 L3MBTL1 (0.32) ALDH1A1L3MBTL1HSP90AA1MAPTGPR55
SCHEMBL3277859 0.75 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL10833159 0.75
SCHEMBL554253 0.75 CYP3A4 (0.32)
SCHEMBL10505362 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060089395-A1 Nf-kb activation inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-04-27 US disclosed
US-20060035944-A1 Remedies for neurodegenerative diseases INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-02-16 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (8 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 ALDH1A1 3396/4885THRB 1216/4885RECQL 2647/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA ALDH1A1 2096/4885THRB 813/4885RECQL 1853/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT ALDH1A1 296/4885THRB 1701/4885RECQL 1762/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA ALDH1A1 425/4885THRB 1302/4885RECQL 1527/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 340/4885THRB 1631/4885RECQL 1455/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 ALDH1A1 366/4885THRB 697/4885RECQL 1993/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB ALDH1A1 1242/4885THRB 279/4885RECQL 3103/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT ALDH1A1 181/4885THRB 1311/4885RECQL 1316/4885

“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.