SCHEMBL416529

SCHEMBL416529

CCCCc1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.56
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
RARA P10276 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 2/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL16572248 0.94 RARB (0.57) RARBALDH1A1MAPTMEN1RARA
SCHEMBL4716336 0.94 RARB (0.57) RARBALDH1A1MAPTMEN1RARA
SCHEMBL219423 0.94 ALDH1A1 (0.52) RARBALDH1A1MAPTHPGDHSD17B10
SCHEMBL13618274 0.93 RARB (0.58) RARBALDH1A1MAPTMEN1RARA
SCHEMBL13617779 0.93 RARB (0.58) RARBALDH1A1MAPTMEN1RARA
SCHEMBL4454097 0.89 ALDH1A1 (0.47) RARBALDH1A1MAPTHPGDHSD17B10
SCHEMBL847304 0.88 ALDH1A1 (0.53) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL5604295 0.88 ALDH1A1 (0.45) RARBALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11811560 0.86 ESR1 (0.57) ALDH1A1MEN1KMT2AHSD17B10THRA
SCHEMBL2120077 0.86 ESR1 (0.57) ALDH1A1MEN1KMT2AHSD17B10THRA

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-20170275334-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-09-28 US disclosed
US-20170275334-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-09-28 US disclosed
US-9708368-B2 Linear peptide antibiotics RQX PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9708368-B2 Linear peptide antibiotics RQX PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
US-20150166605-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2015-06-18 US disclosed
US-20150166605-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2015-06-18 US disclosed
US-8999922-B2 Linear peptide antibiotics RQX PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999922-B2 Linear peptide antibiotics RQX PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-29 US disclosed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
EP-0442266-B1 Tolan derivatives, liquid crystal compositions containing them, and liquid crystal elements using them SEIKO EPSON CORP (JP) 1994-12-28 EP disclosed
US-5314640-A Tolan derivatives, liquid crystal compositions including same, liquid crystal display devices including the compositions and method of preparation SEIKO EPSON CORPORATION (JP) 1994-05-24 US disclosed
EP-0442266-A1 Tolan derivatives, liquid crystal compositions containing them, and liquid crystal elements using them SEIKO EPSON CORPORATION (JP) 1991-08-21 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 (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-20150166605-A1 LINEAR PEPTIDE ANTIBIOTICS SPAST, PEPD, NPEPPS RARB 895/4885ALDH1A1 3907/4885MAPT 3572/4885
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK RARB 2698/4885ALDH1A1 200/4885MAPT 4533/4885
US-20170275334-A1 LINEAR PEPTIDE ANTIBIOTICS SPAST, PEPD, NPEPPS RARB 895/4885ALDH1A1 3907/4885MAPT 3572/4885
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD RARB 1708/4885ALDH1A1 4344/4885MAPT 3456/4885
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS ORC3, BRS3, OSBPL3 RARB 257/4885ALDH1A1 4216/4885MAPT 2833/4885
US-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS RARB 4697/4885ALDH1A1 1454/4885MAPT 4879/4885

“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.