Sugi Predict

Sugi Predict / Compounds / SCHEMBL533468

SCHEMBL533468

SCHEMBL533468

CC(C)c1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.54
▸ RXRB P28702 1/20 0.54
▸ RXRG P48443 1/20 0.54
▸ PTPN5 P54829 4/20 0.46
▸ HDAC4 P56524 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL598181 0.87 RXRA (0.66) RXRARXRBRXRGPTPN5HDAC4
Ethane SCHEMBL6908245 0.85 RXRA (0.63) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL5352034 0.85 RXRA (0.62) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL533828 0.84 NOTUM (0.41) RXRARXRBRXRGPTPN5CTSS
SCHEMBL29681626 0.83 RXRA (0.67) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL611807 0.83 RXRA (0.67) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL28403145 0.81 RXRA (0.34) RXRARXRBRXRGCA1CA2
SCHEMBL29727265 0.81 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL5355878 0.81 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL14188565 0.81 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 — — US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 — — US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 — — US disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 — — EP disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 — — US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 — — US disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 — — US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 — — US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 — — US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 — — US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 — — WO disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 — — WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 — — US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 — — EP disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 — — EP disclosed
US-6576664-B1 1-amido-2-hydroxy-substituted-indanes; suppressing production of tumor necrosis factor BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-10 — — US disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 — — WO disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 — — WO disclosed
CN-1268117-A Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis DU PONT PHARM CO (US) 2000-09-27 — — CN disclosed
US-4139487-A PLASTICIZERS FOR POLYVINYL CHLORIDE, FLEXIBILITY AT LOW TEMPERATURES ALBRIGHT & WILSON LIMITED (GB) 1979-02-13 — — 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 (6 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 RXRA 901/4885RXRB 1107/4885RXRG 1093/4885
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 RXRA 1542/4885RXRB 1614/4885RXRG 1526/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 RXRA 1542/4885RXRB 1614/4885RXRG 1526/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 RXRA 572/4885RXRB 1016/4885RXRG 1382/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 RXRA 1542/4885RXRB 1614/4885RXRG 1526/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 RXRA 886/4885RXRB 919/4885RXRG 801/4885

“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.